 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer02_STD_wB97XD_augccpVDZ.in
 Output=10_L-serine_conformer02_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-79664.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     79666.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer02_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:03:36 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer02_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.484901000000     -0.302102000000      0.506335000000
  C                                                -0.174290000000      0.470913000000      0.629509000000
  C                                                 0.994437000000     -0.392531000000      0.118480000000
  O                                                 1.968436000000      0.308886000000     -0.463036000000
  O                                                -1.787467000000     -0.569740000000     -0.856846000000
  N                                                -0.159010000000      1.757486000000     -0.072339000000
  O                                                 1.028452000000     -1.588853000000      0.241131000000
  H                                                 0.031855000000      0.652391000000      1.689135000000
  H                                                -1.427808000000     -1.222323000000      1.090638000000
  H                                                -2.303403000000      0.307977000000      0.891228000000
  H                                                 1.632660000000      1.234261000000     -0.497983000000
  H                                                -0.712360000000      1.685398000000     -0.921087000000
  H                                                -0.544717000000      2.501175000000      0.493903000000
  H                                                -1.250000000000     -1.321307000000     -1.135405000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:03:36 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.484901   -0.302102    0.506335
      2          6           0       -0.174290    0.470913    0.629509
      3          6           0        0.994437   -0.392531    0.118480
      4          8           0        1.968436    0.308886   -0.463036
      5          8           0       -1.787467   -0.569740   -0.856846
      6          7           0       -0.159010    1.757486   -0.072339
      7          8           0        1.028452   -1.588853    0.241131
      8          1           0        0.031855    0.652391    1.689135
      9          1           0       -1.427808   -1.222323    1.090638
     10          1           0       -2.303403    0.307977    0.891228
     11          1           0        1.632660    1.234261   -0.497983
     12          1           0       -0.712360    1.685398   -0.921087
     13          1           0       -0.544717    2.501175    0.493903
     14          1           0       -1.250000   -1.321307   -1.135405
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526573   0.000000
     3  C    2.511120   1.540328   0.000000
     4  O    3.638478   2.410639   1.333724   0.000000
     5  O    1.421773   2.427869   2.953245   3.877354   0.000000
     6  N    2.516894   1.465638   2.447330   2.603289   2.946745
     7  O    2.836019   2.416622   1.203074   2.231778   3.189599
     8  H    2.147236   1.094640   2.117872   2.915507   3.359398
     9  H    1.091548   2.156617   2.738780   4.036456   2.085165
    10  H    1.091002   2.151318   3.458844   4.481366   2.022953
    11  H    3.617769   2.262522   1.853054   0.985031   3.883358
    12  H    2.566030   2.041774   2.882992   3.048157   2.499126
    13  H    2.956766   2.068228   3.299011   3.469553   3.577635
    14  H    1.946604   2.735713   2.733560   3.669869   0.965049
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.564592   0.000000
     8  H    2.088170   2.848350   0.000000
     9  H    3.441166   2.624732   2.450177   0.000000
    10  H    2.761876   3.888682   2.491728   1.774331   0.000000
    11  H    1.914424   2.980156   2.772117   4.233791   4.275570
    12  H    1.015759   3.886116   2.904173   3.607457   2.777263
    13  H    1.011174   4.389429   2.275745   3.873032   2.839183
    14  H    3.435016   2.675402   3.676501   2.235326   2.805613
                   11         12         13         14
    11  H    0.000000
    12  H    2.425213   0.000000
    13  H    2.707375   1.641887   0.000000
    14  H    3.904736   3.061905   4.214669   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.88D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.484901   -0.302102    0.506335
      2          6           0       -0.174290    0.470913    0.629509
      3          6           0        0.994437   -0.392531    0.118480
      4          8           0        1.968436    0.308886   -0.463036
      5          8           0       -1.787467   -0.569740   -0.856846
      6          7           0       -0.159010    1.757486   -0.072339
      7          8           0        1.028452   -1.588853    0.241131
      8          1           0        0.031855    0.652391    1.689135
      9          1           0       -1.427808   -1.222323    1.090638
     10          1           0       -2.303403    0.307977    0.891228
     11          1           0        1.632660    1.234261   -0.497983
     12          1           0       -0.712360    1.685398   -0.921087
     13          1           0       -0.544717    2.501175    0.493903
     14          1           0       -1.250000   -1.321307   -1.135405
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.5618822           2.3721173           1.7326355
 Leave Link  202 at Thu Aug 12 22:03:36 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 252 were deleted.
 There are   238 symmetry adapted cartesian basis functions of A   symmetry.
 There are   224 symmetry adapted basis functions of A   symmetry.
   224 basis functions,   413 primitive gaussians,   238 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       328.9801627738 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0068911823 Hartrees.
 Nuclear repulsion after empirical dispersion term =      328.9732715915 Hartrees.
 Leave Link  301 at Thu Aug 12 22:03:38 2021, MaxMem=  5368709120 cpu:              10.1 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   224 RedAO= T EigKep=  1.69D-05  NBF=   224
 NBsUse=   224 1.00D-06 EigRej= -1.00D+00 NBFU=   224
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   238   238   238   238   238 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 22:03:38 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:03:38 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer02_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:03:38 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368591572 LenY=  5368534487
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -398.905362059341    
 DIIS: error= 2.10D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -398.905362059341     IErMin= 1 ErrMin= 2.10D-03
 ErrMax= 2.10D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.20D-03 BMatP= 6.20D-03
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.10D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.417 Goal=   None    Shift=    0.000
 GapD=    0.417 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.35D-03 MaxDP=1.78D-01              OVMax= 1.36D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.35D-03    CP:  9.91D-01
 E= -398.910577903766     Delta-E=       -0.005215844424 Rises=F Damp=F
 DIIS: error= 3.95D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -398.910577903766     IErMin= 2 ErrMin= 3.95D-04
 ErrMax= 3.95D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.49D-04 BMatP= 6.20D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.95D-03
 Coeff-Com: -0.409D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.408D-01 0.104D+01
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=1.04D-03 MaxDP=4.28D-02 DE=-5.22D-03 OVMax= 4.47D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.37D-04    CP:  9.88D-01  1.14D+00
 E= -398.910709834544     Delta-E=       -0.000131930779 Rises=F Damp=F
 DIIS: error= 3.67D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -398.910709834544     IErMin= 3 ErrMin= 3.67D-04
 ErrMax= 3.67D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-04 BMatP= 1.49D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.67D-03
 Coeff-Com: -0.453D-01 0.531D+00 0.515D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.452D-01 0.529D+00 0.516D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.28D-04 MaxDP=5.73D-03 DE=-1.32D-04 OVMax= 1.66D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.51D-05    CP:  9.87D-01  1.15D+00  1.10D+00
 E= -398.910805881100     Delta-E=       -0.000096046555 Rises=F Damp=F
 DIIS: error= 4.91D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -398.910805881100     IErMin= 4 ErrMin= 4.91D-05
 ErrMax= 4.91D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.66D-06 BMatP= 1.40D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.222D-02-0.313D-01 0.713D-01 0.962D+00
 Coeff:     -0.222D-02-0.313D-01 0.713D-01 0.962D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=9.77D-05 MaxDP=5.47D-03 DE=-9.60D-05 OVMax= 7.48D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.53D-05    CP:  9.86D-01  1.16D+00  1.24D+00  1.16D+00
 E= -398.910809745645     Delta-E=       -0.000003864545 Rises=F Damp=F
 DIIS: error= 3.04D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -398.910809745645     IErMin= 5 ErrMin= 3.04D-05
 ErrMax= 3.04D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.04D-07 BMatP= 2.66D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.285D-02-0.551D-01-0.166D-01 0.389D+00 0.680D+00
 Coeff:      0.285D-02-0.551D-01-0.166D-01 0.389D+00 0.680D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.91D-05 MaxDP=9.26D-04 DE=-3.86D-06 OVMax= 2.80D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.95D-06    CP:  9.86D-01  1.16D+00  1.27D+00  1.23D+00  1.09D+00
 E= -398.910810340361     Delta-E=       -0.000000594716 Rises=F Damp=F
 DIIS: error= 1.04D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -398.910810340361     IErMin= 6 ErrMin= 1.04D-05
 ErrMax= 1.04D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.25D-08 BMatP= 6.04D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.156D-02-0.234D-01-0.140D-01 0.967D-01 0.323D+00 0.616D+00
 Coeff:      0.156D-02-0.234D-01-0.140D-01 0.967D-01 0.323D+00 0.616D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=4.26D-06 MaxDP=1.93D-04 DE=-5.95D-07 OVMax= 8.95D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.25D-06    CP:  9.86D-01  1.16D+00  1.27D+00  1.25D+00  1.16D+00
                    CP:  1.09D+00
 E= -398.910810417739     Delta-E=       -0.000000077379 Rises=F Damp=F
 DIIS: error= 3.41D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -398.910810417739     IErMin= 7 ErrMin= 3.41D-06
 ErrMax= 3.41D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.86D-09 BMatP= 9.25D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.895D-04 0.765D-03-0.182D-02-0.341D-01 0.176D-02 0.244D+00
 Coeff-Com:  0.790D+00
 Coeff:      0.895D-04 0.765D-03-0.182D-02-0.341D-01 0.176D-02 0.244D+00
 Coeff:      0.790D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.99D-06 MaxDP=1.01D-04 DE=-7.74D-08 OVMax= 4.57D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.94D-07    CP:  9.86D-01  1.16D+00  1.27D+00  1.25D+00  1.19D+00
                    CP:  1.17D+00  1.04D+00
 E= -398.910810429648     Delta-E=       -0.000000011909 Rises=F Damp=F
 DIIS: error= 7.63D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -398.910810429648     IErMin= 8 ErrMin= 7.63D-07
 ErrMax= 7.63D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.90D-10 BMatP= 9.86D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.106D-03 0.229D-02 0.895D-03-0.182D-01-0.287D-01 0.396D-02
 Coeff-Com:  0.216D+00 0.824D+00
 Coeff:     -0.106D-03 0.229D-02 0.895D-03-0.182D-01-0.287D-01 0.396D-02
 Coeff:      0.216D+00 0.824D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=5.52D-07 MaxDP=1.85D-05 DE=-1.19D-08 OVMax= 1.36D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.96D-07    CP:  9.86D-01  1.16D+00  1.27D+00  1.25D+00  1.19D+00
                    CP:  1.19D+00  1.09D+00  1.09D+00
 E= -398.910810430528     Delta-E=       -0.000000000880 Rises=F Damp=F
 DIIS: error= 2.40D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -398.910810430528     IErMin= 9 ErrMin= 2.40D-07
 ErrMax= 2.40D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.52D-11 BMatP= 5.90D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.330D-04 0.519D-03 0.347D-03-0.220D-02-0.700D-02-0.187D-01
 Coeff-Com:  0.255D-02 0.211D+00 0.814D+00
 Coeff:     -0.330D-04 0.519D-03 0.347D-03-0.220D-02-0.700D-02-0.187D-01
 Coeff:      0.255D-02 0.211D+00 0.814D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.61D-07 MaxDP=6.69D-06 DE=-8.80D-10 OVMax= 4.64D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.89D-08    CP:  9.86D-01  1.16D+00  1.27D+00  1.25D+00  1.19D+00
                    CP:  1.19D+00  1.10D+00  1.15D+00  1.08D+00
 E= -398.910810430610     Delta-E=       -0.000000000082 Rises=F Damp=F
 DIIS: error= 7.55D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -398.910810430610     IErMin=10 ErrMin= 7.55D-08
 ErrMax= 7.55D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.74D-12 BMatP= 4.52D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.231D-06-0.840D-04 0.143D-04 0.153D-02 0.103D-02-0.871D-02
 Coeff-Com: -0.260D-01-0.264D-01 0.283D+00 0.776D+00
 Coeff:     -0.231D-06-0.840D-04 0.143D-04 0.153D-02 0.103D-02-0.871D-02
 Coeff:     -0.260D-01-0.264D-01 0.283D+00 0.776D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=5.88D-08 MaxDP=3.15D-06 DE=-8.16D-11 OVMax= 2.11D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.06D-08    CP:  9.86D-01  1.16D+00  1.27D+00  1.25D+00  1.19D+00
                    CP:  1.19D+00  1.10D+00  1.16D+00  1.16D+00  1.20D+00
 E= -398.910810430613     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 3.15D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -398.910810430613     IErMin=11 ErrMin= 3.15D-08
 ErrMax= 3.15D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-12 BMatP= 8.74D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.469D-05-0.103D-03-0.515D-04 0.857D-03 0.144D-02-0.548D-03
 Coeff-Com: -0.875D-02-0.382D-01-0.172D-01 0.275D+00 0.787D+00
 Coeff:      0.469D-05-0.103D-03-0.515D-04 0.857D-03 0.144D-02-0.548D-03
 Coeff:     -0.875D-02-0.382D-01-0.172D-01 0.275D+00 0.787D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=2.05D-08 MaxDP=1.11D-06 DE=-2.96D-12 OVMax= 8.68D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.09D-08    CP:  9.86D-01  1.16D+00  1.27D+00  1.25D+00  1.19D+00
                    CP:  1.19D+00  1.10D+00  1.16D+00  1.18D+00  1.31D+00
                    CP:  1.15D+00
 E= -398.910810430609     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 9.19D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -398.910810430613     IErMin=12 ErrMin= 9.19D-09
 ErrMax= 9.19D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.01D-14 BMatP= 1.16D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.103D-05-0.126D-04-0.145D-04 0.100D-04 0.207D-03 0.665D-03
 Coeff-Com:  0.846D-03-0.476D-02-0.332D-01-0.211D-01 0.162D+00 0.896D+00
 Coeff:      0.103D-05-0.126D-04-0.145D-04 0.100D-04 0.207D-03 0.665D-03
 Coeff:      0.846D-03-0.476D-02-0.332D-01-0.211D-01 0.162D+00 0.896D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=6.86D-09 MaxDP=2.57D-07 DE= 3.75D-12 OVMax= 3.75D-07

 SCF Done:  E(RwB97XD) =  -398.910810431     A.U. after   12 cycles
            NFock= 12  Conv=0.69D-08     -V/T= 2.0060
 KE= 3.965428948660D+02 PE=-1.593268079932D+03 EE= 4.688411030442D+02
 Leave Link  502 at Thu Aug 12 22:04:25 2021, MaxMem=  5368709120 cpu:             367.2 elap:              46.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   224
 NBasis=   224 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    224 NOA=    28 NOB=    28 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.48514023D+02

 Leave Link  801 at Thu Aug 12 22:04:25 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4341 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.15D-14 8.33D-09 XBig12= 1.00D+00 2.44D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.15D-14 8.33D-09 XBig12= 1.92D-01 6.67D-02.
     11 vectors produced by pass  2 Test12= 9.15D-14 8.33D-09 XBig12= 2.79D-02 3.38D-02.
     11 vectors produced by pass  3 Test12= 9.15D-14 8.33D-09 XBig12= 2.16D-03 9.86D-03.
     11 vectors produced by pass  4 Test12= 9.15D-14 8.33D-09 XBig12= 1.19D-04 2.32D-03.
     11 vectors produced by pass  5 Test12= 9.15D-14 8.33D-09 XBig12= 3.80D-06 3.54D-04.
     11 vectors produced by pass  6 Test12= 9.15D-14 8.33D-09 XBig12= 1.45D-07 5.06D-05.
     11 vectors produced by pass  7 Test12= 9.15D-14 8.33D-09 XBig12= 3.56D-09 6.53D-06.
     11 vectors produced by pass  8 Test12= 9.15D-14 8.33D-09 XBig12= 7.06D-11 9.97D-07.
      8 vectors produced by pass  9 Test12= 9.15D-14 8.33D-09 XBig12= 9.41D-13 1.13D-07.
      1 vectors produced by pass 10 Test12= 9.15D-14 8.33D-09 XBig12= 1.28D-14 1.21D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.613217D+02
      2  0.180450D+00  0.648889D+02
      3 -0.302924D+01 -0.112521D+01  0.517638D+02
 Isotropic polarizability for W=    0.088559       59.32 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.151517D+02 -0.642533D+01 -0.176888D+02
      2   0.101967D+02  0.141009D+02 -0.221522D+01
      3   0.495495D+01 -0.767562D+01  0.199041D+02
      4   0.151506D+02 -0.352654D+01 -0.932031D+01
      5   0.209594D+01 -0.102509D+02 -0.295090D+02
      6  -0.455733D+01  0.141423D+02  0.103651D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.179276D+01  0.803619D+01 -0.561908D+01
      2  -0.132479D+02 -0.446119D+01 -0.136900D+02
      3   0.106754D+02 -0.194681D+01  0.302222D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.930630D+00  0.163576D+02 -0.180407D+02
      2  -0.197848D+02 -0.476298D+01 -0.344640D+02
      3   0.215760D+02  0.137233D+02  0.569361D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.952145D+00  0.874514D+00 -0.822160D+00
      2   0.874514D+00  0.121674D+01  0.131661D+01
      3  -0.822160D+00  0.131661D+01  0.891863D-01
 OR G Eigenvalues:    -2.0468     0.2857     2.1148  Iso=    -0.1179
 Eigenvectors:
   (1)   0.734534  -0.413799   0.537802
   (2)  -0.670221  -0.318456   0.670365
   (3)   0.106130   0.852852   0.511254
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1179 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =      -56.90 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   25200 ScalPx= 5.44D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.80D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.52D-14 2.78D-09 XBig12= 1.00D+00 3.55D-01.
     30 vectors produced by pass  1 Test12= 1.52D-14 2.78D-09 XBig12= 2.04D-02 2.87D-02.
     30 vectors produced by pass  2 Test12= 1.52D-14 2.78D-09 XBig12= 5.12D-04 3.47D-03.
     30 vectors produced by pass  3 Test12= 1.52D-14 2.78D-09 XBig12= 8.23D-06 5.23D-04.
     30 vectors produced by pass  4 Test12= 1.52D-14 2.78D-09 XBig12= 8.41D-08 3.82D-05.
     30 vectors produced by pass  5 Test12= 1.52D-14 2.78D-09 XBig12= 8.97D-10 4.23D-06.
     30 vectors produced by pass  6 Test12= 1.52D-14 2.78D-09 XBig12= 6.81D-12 2.34D-07.
     30 vectors produced by pass  7 Test12= 1.52D-14 2.78D-09 XBig12= 3.90D-14 1.73D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.58D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.58D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.20D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.613217D+02  0.180450D+00 -0.302924D+01
      2   0.180450D+00  0.648889D+02 -0.112521D+01
      3  -0.302924D+01 -0.112521D+01  0.517638D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.179276D+01  0.803619D+01 -0.561908D+01
      2  -0.132479D+02 -0.446119D+01 -0.136900D+02
      3   0.106754D+02 -0.194681D+01  0.302222D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.151517D+02 -0.642533D+01 -0.176888D+02
      2   0.101967D+02  0.141009D+02 -0.221522D+01
      3   0.495495D+01 -0.767562D+01  0.199041D+02
      4   0.151506D+02 -0.352654D+01 -0.932031D+01
      5   0.209594D+01 -0.102509D+02 -0.295090D+02
      6  -0.455733D+01  0.141423D+02  0.103651D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.639921D+00 -0.374673D+01 -0.998122D+00 -0.449033D+01  0.124702D+01
      2  -0.374673D+01 -0.187776D+00  0.166319D+01  0.124702D+01  0.154653D+01
      3  -0.998122D+00  0.166319D+01  0.103605D+01  0.144276D+01 -0.325379D+01
                 6             7             8             9            10 
      1   0.144276D+01 -0.159677D+01  0.150319D+01  0.279237D+01  0.288046D-01
      2  -0.325379D+01  0.150319D+01 -0.271903D+01  0.239537D+01  0.395575D+01
      3   0.191236D+01  0.279237D+01  0.239537D+01  0.139742D+01  0.131878D+00
                11            12            13            14            15 
      1   0.395575D+01  0.131878D+00  0.322360D+01 -0.755649D+00 -0.755625D+00
      2   0.298213D+00 -0.109100D+01 -0.755649D+00 -0.234853D+01  0.144636D+01
      3  -0.109100D+01 -0.149836D+01 -0.755625D+00  0.144636D+01 -0.115377D+01
                16            17            18            19            20 
      1   0.101145D+01 -0.592424D-01 -0.126644D+01  0.157152D+01 -0.240421D+01
      2  -0.592424D-01  0.138684D+01 -0.197509D+01 -0.240421D+01  0.378771D+00
      3  -0.126644D+01 -0.197509D+01 -0.574875D+01  0.266025D+00  0.790689D+00
                21            22            23            24            25 
      1   0.266025D+00 -0.114073D+01 -0.233087D+00  0.103317D+01 -0.530013D-01
      2   0.790689D+00 -0.233087D+00  0.650732D+01 -0.584239D+00  0.112782D+01
      3   0.589437D+00  0.103317D+01 -0.584239D+00  0.400466D+00  0.223874D+00
                26            27            28            29            30 
      1   0.112782D+01  0.223874D+00  0.706223D+01  0.107413D+01 -0.164117D+01
      2  -0.138886D+01  0.263157D+00  0.107413D+01  0.176138D+01 -0.377506D+00
      3   0.263157D+00  0.276592D+00 -0.164117D+01 -0.377506D+00  0.127807D+01
                31            32            33            34            35 
      1  -0.190997D+01  0.326757D+01  0.244534D+00 -0.164847D+01 -0.454426D+00
      2   0.326757D+01 -0.253095D+01 -0.492034D+00 -0.454426D+00  0.129308D+00
      3   0.244534D+00 -0.492034D+00  0.132214D+00  0.206908D+01  0.818653D+00
                36            37            38            39            40 
      1   0.206908D+01 -0.323618D+01  0.339054D+00 -0.148927D+01  0.177885D+01
      2   0.818653D+00  0.339054D+00 -0.187178D+01 -0.103989D+01 -0.164399D+01
      3  -0.234367D+01 -0.148927D+01 -0.103989D+01 -0.195201D+01 -0.944819D+00
                41            42            43            44            45 
      1  -0.164399D+01 -0.944819D+00 -0.130091D+01 -0.161365D+01 -0.301018D+01
      2   0.188177D+01  0.512490D+00 -0.161365D+01  0.257720D+00 -0.778583D+00
      3   0.512490D+00  0.136520D+01 -0.301018D+01 -0.778583D+00 -0.371499D+01
                46            47            48            49            50 
      1   0.708314D+00 -0.987656D+00  0.526200D+00 -0.608761D+00  0.276758D+01
      2  -0.987656D+00  0.284012D+01  0.563833D+00  0.276758D+01  0.237550D+01
      3   0.526200D+00  0.563833D+00  0.252236D+01  0.633573D+00 -0.265386D+01
                51            52            53            54            55 
      1   0.633573D+00  0.404394D+00  0.717561D+00  0.244385D+01  0.251545D+00
      2  -0.265386D+01  0.717561D+00 -0.308353D+01  0.825920D-01 -0.270806D+01
      3   0.279410D+00  0.244385D+01  0.825920D-01  0.132895D+01  0.344141D+00
                56            57            58            59            60 
      1  -0.270806D+01  0.344141D+00 -0.344124D+01  0.113592D+01 -0.243692D+00
      2   0.127756D+01 -0.551835D+00  0.113592D+01 -0.136475D+02  0.856523D+00
      3  -0.551835D+00 -0.394706D-01 -0.243692D+00  0.856523D+00 -0.254427D+01
                61            62            63            64            65 
      1   0.594774D+00 -0.440384D+00  0.324992D+00  0.588755D+00 -0.159098D+00
      2  -0.440384D+00  0.675426D+00 -0.302495D+01 -0.159098D+00  0.305994D+00
      3   0.324992D+00 -0.302495D+01  0.842670D+00  0.143063D+01  0.408643D+00
                66            67            68            69            70 
      1   0.143063D+01 -0.292861D+00  0.309911D+00  0.359291D+00  0.168773D+01
      2   0.408643D+00  0.309911D+00  0.149609D+01  0.129052D+01  0.147675D+00
      3   0.995964D+00  0.359291D+00  0.129052D+01  0.102254D+01  0.895256D+00
                71            72            73            74            75 
      1   0.147675D+00  0.895256D+00  0.242209D+00 -0.474591D+00  0.823982D+00
      2   0.173055D+01  0.163561D+01 -0.474591D+00 -0.385655D+00 -0.563464D-01
      3   0.163561D+01  0.871754D+01  0.823982D+00 -0.563464D-01  0.832998D-01
                76            77            78            79            80 
      1  -0.131350D+01 -0.123503D+01  0.439973D+00  0.108209D+01  0.429033D+00
      2  -0.123503D+01 -0.546752D+01  0.284168D+01  0.429033D+00  0.256640D+01
      3   0.439973D+00  0.284168D+01 -0.311364D+01 -0.695681D+00 -0.252214D+01
                81            82            83            84            85 
      1  -0.695681D+00 -0.602080D+01  0.192562D+01  0.202928D+01  0.347837D+01
      2  -0.252214D+01  0.192562D+01 -0.150750D+01 -0.787652D+00 -0.191062D+01
      3   0.334379D+01  0.202928D+01 -0.787652D+00 -0.194615D+01 -0.111961D+01
                86            87            88            89            90 
      1  -0.191062D+01 -0.111961D+01  0.199533D+01 -0.594020D+00 -0.199814D+01
      2   0.204840D+01  0.137043D+01 -0.594020D+00  0.106772D+01  0.666334D+00
      3   0.137043D+01  0.128664D+01 -0.199814D+01  0.666334D+00  0.161163D+01
                91            92            93            94            95 
      1  -0.202527D+00  0.176418D+01  0.188052D+00  0.420579D+01 -0.592940D+00
      2   0.176418D+01 -0.319995D+00 -0.237292D+00 -0.592940D+00  0.489812D+01
      3   0.188052D+00 -0.237292D+00  0.334695D+00 -0.893556D+00 -0.501585D+00
                96            97            98            99           100 
      1  -0.893556D+00 -0.109606D+00 -0.259165D+00  0.634221D+00 -0.116501D+01
      2  -0.501585D+00 -0.259165D+00 -0.444887D+00  0.583683D+00  0.648808D+00
      3   0.106967D+01  0.634221D+00  0.583683D+00 -0.809025D+00 -0.152635D+01
               101           102           103           104           105 
      1   0.648808D+00 -0.152635D+01  0.210297D+00 -0.572068D+00  0.923240D-01
      2  -0.128854D+01  0.517788D+00 -0.572068D+00  0.209245D+00 -0.566899D+00
      3   0.517788D+00 -0.208455D+01  0.923240D-01 -0.566899D+00  0.101005D+00
               106           107           108           109           110 
      1  -0.262720D+01  0.256839D+00 -0.191865D+01 -0.739091D+00  0.159591D+01
      2   0.256839D+00 -0.208429D+01  0.108748D+01  0.159591D+01 -0.272730D+01
      3  -0.191865D+01  0.108748D+01 -0.446406D+01  0.312807D+00 -0.630861D+00
               111           112           113           114           115 
      1   0.312807D+00  0.224511D+01 -0.253100D+01 -0.785333D+00  0.111726D+01
      2  -0.630861D+00 -0.253100D+01  0.667464D+01  0.175362D+01 -0.116013D+01
      3  -0.670087D+00 -0.785333D+00  0.175362D+01  0.153753D+01 -0.806980D+00
               116           117           118           119           120 
      1  -0.116013D+01 -0.806980D+00  0.155016D+01 -0.823094D+00 -0.398092D+00
      2   0.347527D+01  0.183360D+01 -0.823094D+00  0.142651D+01  0.828237D+00
      3   0.183360D+01  0.159068D+01 -0.398092D+00  0.828237D+00  0.135075D+01
               121           122           123           124           125 
      1  -0.194461D+01  0.746374D+00  0.497009D+00 -0.557080D+00  0.398900D+00
      2   0.746374D+00 -0.364316D+01 -0.201922D+01  0.398900D+00 -0.156864D+01
      3   0.497009D+00 -0.201922D+01 -0.229535D+01  0.312415D+00 -0.106572D+01
               126 
      1   0.312415D+00
      2  -0.106572D+01
      3  -0.202878D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.556747D+01 -0.109499D+01  0.192236D+01 -0.344129D-01 -0.602084D+00
      2   0.775190D+01  0.296628D+01  0.115804D+01  0.545531D+01  0.510792D+01
      3  -0.741819D+01  0.459733D+00  0.326951D+01  0.690311D+01  0.588581D+01
                 6             7             8             9            10 
      1  -0.438319D+01  0.157410D+01 -0.286352D+01  0.376121D+01  0.470892D+01
      2  -0.441927D+01 -0.257460D+01 -0.428235D+01 -0.286217D+01 -0.405818D+01
      3  -0.582231D+01  0.144748D+01 -0.484468D+01  0.288345D+01  0.175189D+01
                11            12            13            14            15 
      1   0.935431D+00 -0.152090D-01  0.600768D+00 -0.119614D+01  0.123535D+01
      2  -0.355777D+01  0.261690D+01 -0.616586D+01 -0.227410D+01 -0.724700D+00
      3  -0.418669D+01 -0.136206D+01  0.154446D+01  0.150364D+01  0.130428D+01
                16            17            18            19            20 
      1   0.644638D+00  0.614702D+01 -0.654217D+00 -0.118093D+01  0.284918D+01
      2  -0.231745D+01 -0.104749D+01 -0.384442D+00 -0.941360D+01  0.186621D+01
      3   0.220652D+01  0.181730D+01 -0.759392D+00  0.524529D+01 -0.376845D+01
                21            22            23            24            25 
      1   0.586938D+00  0.352352D+01  0.163157D+01  0.789113D+01 -0.168342D+01
      2  -0.241745D+01 -0.133894D+01  0.127590D+01  0.177184D+01 -0.166797D+02
      3  -0.392549D+00 -0.529184D+01 -0.939062D+01 -0.272050D+01 -0.221496D+00
                26            27            28            29            30 
      1   0.830049D+01 -0.158565D+01  0.120267D+01 -0.347998D+01 -0.228440D+01
      2   0.295378D+01  0.728571D+01  0.135852D+01 -0.167271D+01  0.707601D+01
      3  -0.291489D+01  0.130621D+00  0.234810D+01 -0.120875D+02  0.436810D+00
                31            32            33            34            35 
      1  -0.297075D+01  0.371058D+01 -0.337597D+01  0.429097D+00  0.274617D+01
      2  -0.198815D+01  0.117563D+01 -0.335272D+00  0.538664D+01 -0.611324D+00
      3  -0.822070D+01  0.131600D+02  0.108861D+01 -0.401320D+00  0.227284D+01
                36            37            38            39            40 
      1   0.701681D+00 -0.151587D+01  0.312885D+01 -0.185332D+01  0.938170D+00
      2  -0.576272D+01 -0.641009D+00  0.403377D+01  0.102548D+02  0.218325D+01
      3  -0.147585D+01  0.511440D+01 -0.789628D+01 -0.278195D+01 -0.358911D+01
                41            42            43            44            45 
      1  -0.426501D+01 -0.471262D+01 -0.262845D+00  0.428334D+01 -0.494726D+01
      2  -0.216664D+01 -0.196631D+01 -0.511901D+00  0.103463D+00  0.791525D+01
      3   0.470498D+01  0.136916D+01 -0.122638D+01 -0.159819D+00  0.541554D+00
                46            47            48            49            50 
      1  -0.178355D+01 -0.280835D+01 -0.564012D+01 -0.331921D+01  0.906414D+01
      2   0.648502D+00 -0.171119D+01  0.496986D+01  0.961488D+00  0.159213D+00
      3   0.153710D+01 -0.860745D+01  0.262076D+01  0.264520D+01  0.439978D+01
                51            52            53            54            55 
      1  -0.439188D+01 -0.663672D+01  0.512478D+01 -0.181628D+01  0.182982D+00
      2   0.788089D+00 -0.223863D+01  0.114775D+01  0.439684D+00  0.194967D+01
      3   0.178115D+01  0.975668D+00  0.281559D+01  0.554900D+01  0.174790D+01
                56            57            58            59            60 
      1   0.297911D-01  0.139369D+01  0.435911D+00 -0.225591D+01 -0.116351D+02
      2  -0.812722D+00  0.315590D+01  0.311703D+01 -0.500887D+00 -0.386790D+01
      3  -0.220290D+01  0.529737D+00  0.132109D+02  0.153080D+02 -0.211179D+00
                61            62            63            64            65 
      1   0.759176D+00  0.464498D+00  0.444930D+00 -0.864936D+00  0.154800D+00
      2   0.905641D+00 -0.465023D+01 -0.786308D+00 -0.275748D+00 -0.569491D-01
      3   0.451356D+00  0.658214D-01  0.398786D+01  0.764761D-01 -0.616291D+00
                66            67            68            69            70 
      1  -0.290354D+00 -0.118016D+00  0.168276D+01 -0.397532D+00 -0.293637D+00
      2  -0.553331D+00  0.618489D+00 -0.344508D+00 -0.164885D+00 -0.357807D+01
      3   0.937240D+00  0.121999D+01  0.137056D+00  0.250119D+00  0.774198D+00
                71            72            73            74            75 
      1   0.310392D+01 -0.243224D+01 -0.669562D-01 -0.151165D+00 -0.345815D-01
      2  -0.525692D+00 -0.227423D+01 -0.238003D+01  0.150308D+00 -0.438436D+00
      3  -0.591276D-01  0.707052D+00 -0.120470D+01 -0.510818D+00 -0.440110D+00
                76            77            78            79            80 
      1  -0.852780D+00 -0.540689D+01 -0.807730D+00  0.237485D+00  0.292729D+01
      2   0.157913D+01 -0.347671D+01  0.482212D+01 -0.180191D+01  0.331245D+01
      3   0.147362D+01 -0.960824D+01  0.473140D+01 -0.656006D+00  0.433691D+01
                81            82            83            84            85 
      1  -0.114400D+00  0.212063D+01 -0.193267D+01 -0.134029D+00 -0.149899D+01
      2  -0.454770D+01  0.220025D+01 -0.328156D+00  0.348085D+01 -0.201497D+01
      3  -0.413264D+01  0.414072D+01 -0.547045D+01 -0.196856D+01 -0.227338D+01
                86            87            88            89            90 
      1   0.224025D+01  0.219625D+00 -0.745107D+00  0.238167D+01  0.302520D+00
      2  -0.682330D+00 -0.218801D+01  0.462014D+00 -0.519758D+00 -0.122770D+01
      3   0.464289D+01  0.267556D+01 -0.114166D+01  0.258289D+01  0.132150D+01
                91            92            93            94            95 
      1  -0.162043D+01  0.262750D+01 -0.121187D+01  0.279425D+01 -0.461861D+01
      2  -0.171144D+01  0.145504D+01 -0.768714D+00  0.162595D+01 -0.289467D+01
      3  -0.311774D+01  0.649643D+01  0.514389D+00  0.101276D+02 -0.176321D+02
                96            97            98            99           100 
      1  -0.518613D+00 -0.953964D+00  0.131562D+01  0.548457D+00  0.350683D+01
      2   0.258492D+01 -0.163075D+01  0.166630D+01 -0.168806D+00 -0.133773D+01
      3   0.292184D+00 -0.866988D-01 -0.398247D+00  0.113794D+00 -0.273867D+01
               101           102           103           104           105 
      1   0.195869D+00  0.532119D+01  0.748864D+00  0.175402D+01 -0.186478D+00
      2   0.134475D+00  0.389917D-01 -0.529051D+00 -0.871382D+00 -0.385298D+00
      3  -0.183694D+00 -0.320261D+01  0.418233D+00 -0.155634D+01  0.730406D-01
               106           107           108           109           110 
      1   0.503517D+01  0.670512D-01  0.912176D+01 -0.503261D+00  0.185534D+01
      2  -0.269097D+01 -0.510816D+00  0.226256D+00  0.427746D+00  0.381051D-01
      3  -0.632546D+01 -0.379468D+00 -0.422889D+01 -0.210398D+01  0.223295D+01
               111           112           113           114           115 
      1   0.215836D+01  0.284117D+01 -0.428925D+01 -0.493308D+01  0.221632D+01
      2   0.399418D+00 -0.406332D+00  0.104576D+00 -0.574840D+00 -0.102152D+01
      3   0.588663D+00  0.674917D+01 -0.432714D+01 -0.213769D+01  0.333978D+01
               116           117           118           119           120 
      1  -0.352750D+01 -0.386412D+01  0.138138D+01 -0.230961D+01  0.813548D-01
      2   0.108840D+00 -0.427050D+00  0.396706D+01 -0.306831D+01 -0.308996D+01
      3  -0.212007D+01 -0.197414D+01 -0.546822D+01  0.389656D+01  0.181415D+01
               121           122           123           124           125 
      1  -0.157439D+01  0.311420D+01  0.113222D+00 -0.230676D+00  0.197400D+01
      2  -0.309734D+01  0.538799D+01  0.465951D+01 -0.236823D+01  0.276457D+01
      3   0.574216D+01 -0.713713D+01 -0.418781D+01  0.864014D+00 -0.301504D+01
               126 
      1  -0.298174D-01
      2   0.408821D+01
      3  -0.266391D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.719432D+01  0.119986D+02  0.698015D+01  0.142806D+02  0.776032D+00
      2   0.248822D+01 -0.871425D+01 -0.224150D+01 -0.993957D+01 -0.344304D+00
      3   0.470610D+01 -0.328433D+01 -0.473865D+01 -0.434106D+01 -0.431728D+00
      4   0.137220D+02 -0.245850D+01 -0.681787D+01 -0.464656D+01 -0.204715D+01
      5   0.532182D+01 -0.981007D+01 -0.754241D+01 -0.121979D+02  0.112777D+02
      6  -0.403468D+01 -0.201144D+00  0.775977D+00  0.315006D+01  0.775942D+01
                 6             7             8             9            10 
      1  -0.104431D+02  0.290760D+01 -0.884856D+01 -0.539635D+01 -0.384872D+01
      2   0.751815D+01 -0.330934D+01  0.185097D+01  0.326177D+01  0.743609D+01
      3   0.292496D+01  0.401744D+00  0.699759D+01  0.213459D+01 -0.358737D+01
      4   0.935049D+01 -0.988558D+01  0.569808D+01 -0.557360D+01 -0.246942D+01
      5  -0.410460D+01 -0.167494D+02 -0.620028D+01 -0.252222D+01  0.236168D+00
      6  -0.971260D+01 -0.188767D+01 -0.120156D+02  0.324075D+01  0.423793D+00
                11            12            13            14            15 
      1  -0.126613D+01  0.391288D+01 -0.533641D+01  0.445961D+01  0.148225D+01
      2   0.172076D+01  0.240858D+01  0.328032D+01 -0.755592D+01  0.285648D+01
      3  -0.454636D+00 -0.632145D+01  0.205609D+01  0.309631D+01 -0.433872D+01
      4   0.482453D+01  0.483920D+00 -0.494263D+01 -0.334584D+01 -0.137266D+00
      5   0.280335D+01  0.236302D+01  0.590151D+01 -0.115198D+01 -0.147632D+01
      6  -0.183537D+01 -0.244381D+01 -0.438453D+00  0.152643D+01 -0.322786D+01
                16            17            18            19            20 
      1  -0.825133D+00 -0.326679D+00  0.132704D+02 -0.698641D+01 -0.713941D+01
      2   0.251726D+01  0.113203D+02  0.959526D+01  0.204708D+01  0.645019D+01
      3  -0.169213D+01 -0.109936D+02 -0.228657D+02  0.493933D+01  0.689225D+00
      4   0.428712D+01 -0.192813D+01 -0.731780D+00 -0.478982D+01 -0.249559D+01
      5   0.220142D+00  0.129064D+01 -0.112660D+01  0.464792D+01  0.251895D+01
      6  -0.763304D+00 -0.277441D+01 -0.951439D+01  0.608547D+00 -0.118478D+00
                21            22            23            24            25 
      1  -0.101863D+01 -0.204006D+01  0.139086D+02 -0.136356D+01  0.639966D+01
      2  -0.706276D+01  0.500346D+01 -0.259720D+02 -0.287262D+01 -0.636154D+01
      3   0.808139D+01 -0.296340D+01  0.120634D+02  0.423618D+01 -0.381168D-01
      4   0.199421D+01 -0.157215D+02  0.191369D+02 -0.232365D+01  0.488803D+01
      5  -0.377177D+01  0.283898D+01 -0.515183D+01  0.115254D+01  0.166570D+01
      6  -0.122512D+01 -0.210366D+01  0.338303D+01 -0.121735D+02  0.181526D+01
                26            27            28            29            30 
      1   0.276657D+01 -0.280723D+01  0.422626D+02  0.501799D+01 -0.474781D+01
      2  -0.870980D+00 -0.376541D+01 -0.269091D+02 -0.126416D+01  0.741796D+01
      3  -0.189559D+01  0.657264D+01 -0.153535D+02 -0.375383D+01 -0.267015D+01
      4   0.205258D+01  0.197553D+01  0.112976D+02  0.113484D+02 -0.204871D+01
      5   0.967601D+00  0.740208D+01 -0.905715D+01 -0.125693D+01  0.139960D+02
      6   0.233732D+01  0.293385D+01 -0.413059D+00 -0.943299D+00  0.308749D+01
                31            32            33            34            35 
      1  -0.458263D+01  0.826002D+01  0.151757D+01 -0.501863D+01 -0.134465D+01
      2   0.545884D+01 -0.388164D+01 -0.212675D+00  0.601428D+01  0.772179D+00
      3  -0.876213D+00 -0.437838D+01 -0.130489D+01 -0.995649D+00  0.572471D+00
      4   0.129177D+02 -0.235278D+01 -0.155977D+01 -0.361988D+01 -0.163804D+01
      5   0.139798D+01 -0.195859D+01  0.496433D+00  0.135836D+02  0.353371D+01
      6  -0.167975D+01  0.112960D+01  0.686167D+01  0.496639D+00  0.456758D+01
                36            37            38            39            40 
      1   0.411431D+01  0.198813D+02 -0.442819D+01  0.989895D+00 -0.639275D+01
      2  -0.107119D+02 -0.119452D+02  0.500588D+01 -0.367038D+01  0.613746D+01
      3   0.659758D+01 -0.793611D+01 -0.577685D+00  0.268049D+01  0.255290D+00
      4   0.263020D+01  0.441763D+01  0.947077D+01  0.362526D+01  0.885139D+01
      5  -0.118476D+02  0.106885D+02  0.228256D+01  0.128484D+02  0.272671D+01
      6  -0.161285D+01  0.348483D-01  0.701565D+01  0.557387D+01  0.397741D+01
                41            42            43            44            45 
      1   0.726496D+01  0.453042D+01  0.486978D+01  0.565110D+01  0.182735D+01
      2  -0.198973D+01 -0.350729D+01 -0.436068D+01 -0.195211D+01 -0.142741D+02
      3  -0.527523D+01 -0.102313D+01 -0.509101D+00 -0.369899D+01  0.124468D+02
      4  -0.110835D+01  0.680529D+00  0.763925D+01  0.220665D+01  0.405534D+01
      5   0.178338D+01 -0.181183D+01  0.184838D+02  0.455652D+01  0.174544D+02
      6  -0.433872D+01  0.240273D+01  0.471506D+01  0.699419D+01  0.283360D+01
                46            47            48            49            50 
      1   0.117970D+02 -0.731048D+01 -0.242748D+01 -0.506529D+01 -0.100816D+02
      2  -0.848283D+01  0.127084D+02  0.489974D+01  0.115036D+02  0.132189D+02
      3  -0.331421D+01 -0.539796D+01 -0.247226D+01 -0.643835D+01 -0.313728D+01
      4   0.101708D+01 -0.304095D+01  0.246825D+01  0.259955D+01  0.117817D+02
      5  -0.226333D+01 -0.537491D+00  0.594138D+00 -0.167056D+01  0.220915D+01
      6   0.200210D+01  0.367026D+01  0.982804D+01  0.319376D+01 -0.149179D+02
                51            52            53            54            55 
      1   0.694757D+01 -0.371075D+01  0.871678D+01 -0.190567D+01  0.471078D+01
      2  -0.118175D+02  0.724116D+01 -0.164928D+02 -0.129158D+00  0.185835D+01
      3   0.486991D+01 -0.353041D+01  0.777605D+01  0.203483D+01 -0.656913D+01
      4   0.233420D+01  0.173871D+01  0.386394D+01  0.949506D+01 -0.961301D+01
      5   0.150174D+01  0.223099D+01  0.207371D+01 -0.378589D+01  0.241534D+01
      6   0.496493D+01  0.986147D+01  0.111130D+01  0.203053D+01 -0.125956D+01
                56            57            58            59            60 
      1  -0.446721D+01 -0.199895D-01 -0.573267D+01 -0.288482D+02  0.311423D+01
      2  -0.475985D+00  0.114961D+01 -0.155315D+01  0.518413D+02 -0.939373D+00
      3   0.494319D+01 -0.112962D+01  0.728581D+01 -0.229931D+02 -0.217485D+01
      4   0.157000D+02 -0.187444D+01  0.200797D+02 -0.336313D+02  0.415170D+01
      5  -0.286327D+01  0.544846D+01 -0.181652D+01  0.764548D+01 -0.676222D+01
      6   0.171903D+01 -0.216162D+01  0.313324D+01 -0.526577D+01  0.172854D+02
                61            62            63            64            65 
      1   0.504689D+00  0.933695D+00 -0.626823D+01  0.886524D-01 -0.126673D+01
      2   0.134617D+01 -0.653612D+00  0.385248D+01 -0.389477D+01  0.452772D+00
      3  -0.185086D+01 -0.280083D+00  0.241575D+01  0.380611D+01  0.813961D+00
      4  -0.171242D+01  0.209590D+01 -0.792261D+01  0.669678D+00  0.218944D+01
      5   0.573394D+01 -0.844846D+01  0.279132D+01  0.120336D+01  0.113771D+01
      6  -0.263457D+01  0.145276D+02 -0.297725D+01  0.210494D+01  0.150349D+01
                66            67            68            69            70 
      1  -0.248611D+01 -0.277263D+00 -0.516341D+01 -0.292671D+01 -0.153031D+01
      2  -0.174227D+01 -0.446131D+00  0.112864D+01  0.717506D+00 -0.932975D+00
      3   0.422838D+01  0.723395D+00  0.403477D+01  0.220921D+01  0.246328D+01
      4   0.182947D+01  0.252371D+01  0.238767D+00  0.382422D+00  0.593784D+00
      5   0.692498D+01  0.395474D+00  0.606522D+00  0.407184D+00  0.567680D+01
      6   0.174660D+01  0.127948D+01  0.377851D+01  0.857833D+01  0.103653D+01
                71            72            73            74            75 
      1  -0.481151D+01 -0.204777D+02  0.117030D+01  0.158558D+01 -0.362340D+01
      2  -0.107810D+01 -0.172397D+02  0.148900D-01  0.623381D-01  0.150888D+01
      3   0.588961D+01  0.377174D+02 -0.118519D+01 -0.164792D+01  0.211452D+01
      4   0.708797D+00  0.121137D+01  0.149577D+01  0.419871D+01 -0.148071D+01
      5   0.346228D-01  0.162372D+01 -0.304940D+01 -0.120838D+01  0.277899D+01
      6   0.795504D+01  0.137827D+02 -0.224428D+01 -0.455086D+00 -0.173586D-01
                76            77            78            79            80 
      1   0.284318D+01 -0.677053D+01  0.599199D+01 -0.257028D+01  0.506379D+01
      2  -0.972963D+00  0.922761D+01 -0.278236D+01  0.219727D+01 -0.108981D+01
      3  -0.187022D+01 -0.245708D+01 -0.320962D+01  0.373003D+00 -0.397398D+01
      4   0.750315D+01  0.158781D+02 -0.824434D+01 -0.248846D+01 -0.667949D+01
      5  -0.392069D+01 -0.970523D+01  0.104781D+02  0.568088D+01  0.808130D+01
      6  -0.278841D+01 -0.154263D+02  0.128908D+02  0.171481D+01  0.115609D+02
                81            82            83            84            85 
      1  -0.629362D+01  0.306624D+02 -0.854927D+01 -0.849582D+01 -0.134760D+02
      2  -0.177352D+01 -0.182409D+02  0.446652D+01  0.719422D+01  0.757013D+01
      3   0.806714D+01 -0.124215D+02  0.408275D+01  0.130160D+01  0.590587D+01
      4   0.654540D+01 -0.106568D+02  0.907196D+01  0.426726D+01  0.113365D+02
      5  -0.103288D+02 -0.164628D+02  0.585473D+01  0.127705D+02  0.900147D+01
      6  -0.119913D+02  0.288993D+01 -0.263872D+01 -0.116293D+01 -0.342465D+01
                86            87            88            89            90 
      1   0.557178D+01  0.372213D+01 -0.696290D+01  0.165473D+01  0.490481D+01
      2  -0.142439D+01 -0.381909D+01  0.696828D+01 -0.199441D+01 -0.680068D+01
      3  -0.414739D+01  0.969603D-01 -0.538178D-02  0.339681D+00  0.189588D+01
      4  -0.109299D+02 -0.601723D+01  0.360098D+01 -0.421580D+01 -0.398225D+01
      5  -0.718088D+01 -0.750558D+01  0.132715D+02 -0.460117D+01 -0.100481D+02
      6   0.306042D+01  0.404286D+01 -0.191700D+01  0.420472D+01  0.253834D+01
                91            92            93            94            95 
      1  -0.593769D+01  0.262200D+01  0.692475D+00  0.133472D+02 -0.470308D+01
      2   0.672019D+01  0.176026D+00 -0.143553D+01 -0.861357D+01  0.742221D+01
      3  -0.782504D+00 -0.279803D+01  0.743053D+00 -0.473360D+01 -0.271913D+01
      4   0.520258D+01  0.197833D+01 -0.288000D+00  0.578719D+01  0.142912D+02
      5   0.160545D+01 -0.104382D+01 -0.972412D+00 -0.371073D+01 -0.109163D+01
      6  -0.488812D+00 -0.430770D+00  0.230494D+01 -0.120376D+01 -0.351550D+01
                96            97            98            99           100 
      1  -0.134702D+01  0.119710D+01  0.752521D+00 -0.977925D+00  0.118671D+01
      2   0.126773D+01 -0.753426D+00 -0.362755D+00 -0.189037D+00 -0.638867D+00
      3   0.792863D-01 -0.443674D+00 -0.389766D+00  0.116696D+01 -0.547841D+00
      4  -0.306175D+01 -0.871416D+00 -0.179599D+01  0.263603D+01 -0.432625D+01
      5   0.479226D+01  0.231530D+01  0.217679D+01 -0.145549D+01  0.423765D+01
      6   0.139913D+01  0.149076D+01  0.262165D+01 -0.196592D+01 -0.471836D+01
               101           102           103           104           105 
      1   0.222209D+01  0.360735D+00  0.497825D+00 -0.547582D+00  0.989091D+00
      2  -0.395952D+01 -0.169827D+01 -0.169868D+01  0.148129D+01 -0.191245D+01
      3   0.173743D+01  0.133753D+01  0.120085D+01 -0.933712D+00  0.923355D+00
      4   0.546329D+01 -0.504001D+01  0.339143D+01 -0.132589D+01  0.154522D+01
      5  -0.125704D+01  0.499339D+01 -0.382232D+00  0.172158D+01 -0.847543D+00
      6   0.259879D+01 -0.830322D+01  0.158995D+01 -0.131767D+01  0.225270D+01
               106           107           108           109           110 
      1   0.869777D+00  0.374289D+01 -0.345544D+01 -0.117670D+01  0.519326D+01
      2  -0.286475D+01 -0.531633D+01 -0.404033D+01  0.515625D+01 -0.123231D+02
      3   0.199498D+01  0.157345D+01  0.749577D+01 -0.397955D+01  0.712983D+01
      4  -0.841267D+01  0.406360D+01 -0.740320D+01 -0.520691D+01  0.103857D+02
      5   0.488343D+01 -0.243458D+01  0.751299D+01 -0.149101D+01  0.174731D+01
      6  -0.719465D+01  0.485432D+01 -0.150796D+02  0.275154D+01 -0.502142D+01
               111           112           113           114           115 
      1   0.107755D+01  0.427416D+01 -0.163535D+02 -0.475526D+01  0.200755D+01
      2  -0.249209D+01 -0.105736D+02  0.321294D+02  0.882581D+01 -0.410250D+01
      3   0.141454D+01  0.629944D+01 -0.157759D+02 -0.407055D+01  0.209495D+01
      4   0.228862D+01  0.108265D+02 -0.145143D+02 -0.461662D+01  0.433993D+01
      5   0.269816D+01  0.690084D+00 -0.241095D+01 -0.158607D+01  0.247481D+01
      6  -0.366735D+01 -0.515013D+01  0.131348D+02  0.880541D+01 -0.461246D+01
               116           117           118           119           120 
      1  -0.868640D+01 -0.564050D+01 -0.485370D+01  0.602852D+01  0.476656D+01
      2   0.142651D+02  0.651205D+01  0.350945D+01 -0.442623D+01 -0.221669D+01
      3  -0.557867D+01 -0.871547D+00  0.134425D+01 -0.160229D+01 -0.254987D+01
      4  -0.722937D+01 -0.432824D+01 -0.579654D+00 -0.174717D+01 -0.532439D+00
      5  -0.236602D+01 -0.230824D+01 -0.106178D+01  0.507196D+00 -0.136567D+01
      6   0.126482D+02  0.901530D+01  0.234305D+01 -0.486293D+01 -0.433552D+01
               121           122           123           124           125 
      1   0.753978D+01 -0.110324D+02 -0.670943D+01  0.388134D+01 -0.451415D+01
      2  -0.491557D+01  0.112372D+02  0.517739D+01 -0.157972D+01  0.235260D+01
      3  -0.262421D+01 -0.204793D+00  0.153204D+01 -0.230163D+01  0.216155D+01
      4   0.815583D+00  0.810925D+01  0.448683D+01 -0.973881D-01  0.279727D+01
      5   0.746433D+00  0.340730D+01  0.526596D+01  0.185020D+01  0.151606D+01
      6  -0.256433D+01  0.988442D+01  0.739382D+01 -0.194042D+01  0.629620D+01
               126 
      1  -0.540336D+01
      2   0.119307D+01
      3   0.421029D+01
      4   0.139274D+01
      5   0.360914D+01
      6   0.564091D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:12:02 2021, MaxMem=  5368709120 cpu:            3648.9 elap:             457.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31535 -19.29011 -19.26239 -14.47322 -10.43476
 Alpha  occ. eigenvalues --  -10.36054 -10.36003  -1.21648  -1.14712  -1.13242
 Alpha  occ. eigenvalues --   -1.02607  -0.85859  -0.76479  -0.69940  -0.64984
 Alpha  occ. eigenvalues --   -0.62093  -0.60493  -0.57068  -0.55724  -0.53656
 Alpha  occ. eigenvalues --   -0.52521  -0.49870  -0.46939  -0.43720  -0.40964
 Alpha  occ. eigenvalues --   -0.40562  -0.38043  -0.35248
 Alpha virt. eigenvalues --    0.02387   0.04239   0.04923   0.05067   0.07091
 Alpha virt. eigenvalues --    0.07225   0.07422   0.08037   0.10493   0.10818
 Alpha virt. eigenvalues --    0.11744   0.13434   0.14070   0.14288   0.14820
 Alpha virt. eigenvalues --    0.15063   0.15656   0.16327   0.17714   0.18405
 Alpha virt. eigenvalues --    0.19745   0.20267   0.20590   0.21091   0.23474
 Alpha virt. eigenvalues --    0.24709   0.25107   0.25863   0.26191   0.27311
 Alpha virt. eigenvalues --    0.27758   0.28581   0.28909   0.30147   0.31330
 Alpha virt. eigenvalues --    0.31814   0.32090   0.32918   0.33444   0.34497
 Alpha virt. eigenvalues --    0.35586   0.37045   0.37560   0.39021   0.39292
 Alpha virt. eigenvalues --    0.40903   0.41260   0.42176   0.43822   0.44465
 Alpha virt. eigenvalues --    0.44972   0.45659   0.47143   0.48124   0.49113
 Alpha virt. eigenvalues --    0.50853   0.51818   0.53022   0.53426   0.54781
 Alpha virt. eigenvalues --    0.55219   0.56226   0.58509   0.59531   0.60666
 Alpha virt. eigenvalues --    0.61189   0.62632   0.63600   0.64931   0.65192
 Alpha virt. eigenvalues --    0.66304   0.67991   0.69312   0.70887   0.71299
 Alpha virt. eigenvalues --    0.72342   0.73675   0.73975   0.75560   0.75973
 Alpha virt. eigenvalues --    0.77634   0.80170   0.82942   0.83648   0.84130
 Alpha virt. eigenvalues --    0.85682   0.86449   0.88335   0.89717   0.92382
 Alpha virt. eigenvalues --    0.93382   0.96192   0.97584   0.99016   1.01575
 Alpha virt. eigenvalues --    1.02789   1.04665   1.05864   1.07498   1.11364
 Alpha virt. eigenvalues --    1.12664   1.12909   1.14610   1.17720   1.17926
 Alpha virt. eigenvalues --    1.21091   1.22845   1.23996   1.24449   1.27743
 Alpha virt. eigenvalues --    1.30518   1.33367   1.34613   1.36925   1.37336
 Alpha virt. eigenvalues --    1.40292   1.43303   1.46922   1.48276   1.53281
 Alpha virt. eigenvalues --    1.56150   1.57883   1.60442   1.62816   1.64083
 Alpha virt. eigenvalues --    1.64298   1.66631   1.67448   1.70591   1.71919
 Alpha virt. eigenvalues --    1.77094   1.80174   1.81673   1.83891   1.85668
 Alpha virt. eigenvalues --    1.87788   1.90417   1.91862   1.91973   1.95564
 Alpha virt. eigenvalues --    1.97710   2.02597   2.03615   2.06115   2.08001
 Alpha virt. eigenvalues --    2.10902   2.11707   2.13364   2.15404   2.18389
 Alpha virt. eigenvalues --    2.21621   2.23361   2.25683   2.27214   2.29271
 Alpha virt. eigenvalues --    2.31719   2.35553   2.36880   2.41345   2.43090
 Alpha virt. eigenvalues --    2.46793   2.50989   2.53894   2.58791   2.60189
 Alpha virt. eigenvalues --    2.63493   2.66557   2.70824   2.72272   2.73825
 Alpha virt. eigenvalues --    2.83635   2.84706   2.89035   2.90845   3.00285
 Alpha virt. eigenvalues --    3.07472   3.11470   3.20585   3.31121   3.36865
 Alpha virt. eigenvalues --    3.41872   3.45553   3.46335   3.48121   3.50558
 Alpha virt. eigenvalues --    3.50837   3.52056   3.55413   3.57579   3.64116
 Alpha virt. eigenvalues --    3.67085   3.70214   3.79868   3.89297   4.03965
 Alpha virt. eigenvalues --    4.05123
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.381745   0.307556  -0.177290  -0.029381   0.153499  -0.100576
     2  C    0.307556   6.394452  -0.628087   0.165554  -0.053432  -0.032951
     3  C   -0.177290  -0.628087   5.927048  -0.132290   0.001810   0.053040
     4  O   -0.029381   0.165554  -0.132290   8.314662   0.004654  -0.063499
     5  O    0.153499  -0.053432   0.001810   0.004654   8.258176  -0.013480
     6  N   -0.100576  -0.032951   0.053040  -0.063499  -0.013480   6.741867
     7  O    0.018256  -0.042760   0.340011  -0.095039   0.004873  -0.014882
     8  H    0.023443  -0.168407  -0.056744   0.012269   0.008819  -0.001385
     9  H    0.004215   0.065087  -0.040626   0.005992   0.000950   0.015556
    10  H    0.190793  -0.003780  -0.011511   0.003115  -0.193336   0.021773
    11  H    0.003347  -0.077397  -0.065819   0.270815  -0.000066   0.043805
    12  H   -0.078484  -0.143264   0.048844  -0.003536   0.031414   0.425955
    13  H   -0.002951   0.109693  -0.034535   0.002245  -0.005396   0.278332
    14  H   -0.027747   0.036034  -0.024607   0.002018   0.297578  -0.008181
               7          8          9         10         11         12
     1  C    0.018256   0.023443   0.004215   0.190793   0.003347  -0.078484
     2  C   -0.042760  -0.168407   0.065087  -0.003780  -0.077397  -0.143264
     3  C    0.340011  -0.056744  -0.040626  -0.011511  -0.065819   0.048844
     4  O   -0.095039   0.012269   0.005992   0.003115   0.270815  -0.003536
     5  O    0.004873   0.008819   0.000950  -0.193336  -0.000066   0.031414
     6  N   -0.014882  -0.001385   0.015556   0.021773   0.043805   0.425955
     7  O    8.275924   0.004838   0.008985   0.004766   0.021880   0.001606
     8  H    0.004838   1.520206  -0.023141  -0.080374  -0.002086   0.040315
     9  H    0.008985  -0.023141   1.712046  -0.415238  -0.000652   0.005561
    10  H    0.004766  -0.080374  -0.415238   1.781467  -0.001174  -0.021870
    11  H    0.021880  -0.002086  -0.000652  -0.001174   0.617080  -0.002312
    12  H    0.001606   0.040315   0.005561  -0.021870  -0.002312   0.770816
    13  H    0.000728  -0.090909  -0.000648  -0.000566  -0.001804  -0.128020
    14  H    0.016624   0.006415  -0.073017   0.046453  -0.000505  -0.003068
              13         14
     1  C   -0.002951  -0.027747
     2  C    0.109693   0.036034
     3  C   -0.034535  -0.024607
     4  O    0.002245   0.002018
     5  O   -0.005396   0.297578
     6  N    0.278332  -0.008181
     7  O    0.000728   0.016624
     8  H   -0.090909   0.006415
     9  H   -0.000648  -0.073017
    10  H   -0.000566   0.046453
    11  H   -0.001804  -0.000505
    12  H   -0.128020  -0.003068
    13  H    0.844584   0.000025
    14  H    0.000025   0.594493
 Mulliken charges:
               1
     1  C    1.333575
     2  C    0.071701
     3  C    0.800757
     4  O   -0.457580
     5  O   -0.496063
     6  N   -0.345375
     7  O   -0.545810
     8  H   -0.193259
     9  H   -0.265070
    10  H   -0.320517
    11  H    0.194889
    12  H    0.056044
    13  H    0.029223
    14  H    0.137484
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.747989
     2  C   -0.121557
     3  C    0.800757
     4  O   -0.262691
     5  O   -0.358579
     6  N   -0.260109
     7  O   -0.545810
 Electronic spatial extent (au):  <R**2>=            734.3025
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.1483    Y=              3.3221    Z=              1.4102  Tot=              4.2000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -48.7615   YY=            -40.5845   ZZ=            -39.3264
   XY=              1.9661   XZ=             -1.7954   YZ=              2.1203
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.8707   YY=              2.3063   ZZ=              3.5644
   XY=              1.9661   XZ=             -1.7954   YZ=              2.1203
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.1587  YYY=             12.7183  ZZZ=             -2.4578  XYY=            -10.7897
  XXY=              7.6527  XXZ=              7.5430  XZZ=              0.7602  YZZ=              0.5206
  YYZ=             -3.8154  XYZ=             -0.3520
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -504.4453 YYYY=           -294.4095 ZZZZ=           -116.7537 XXXY=             -0.4913
 XXXZ=             -9.3484 YYYX=              4.3815 YYYZ=             13.6542 ZZZX=              3.8094
 ZZZY=              4.3728 XXYY=           -125.2344 XXZZ=           -101.8544 YYZZ=            -62.0631
 XXYZ=             -3.1027 YYXZ=              0.0112 ZZXY=              1.4325
 N-N= 3.289732715915D+02 E-N=-1.593268080981D+03  KE= 3.965428948660D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:12:03 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-8.37095371D-01 1.30233030D+00 5.19226124D-01
 Polarizability= 5.58131470D+01-7.12501009D-02 5.98544758D+01
                -3.02624471D+00-9.63500321D-01 4.73939377D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.5141    1.5146        0.0896    0.0902
 2     -1.5141   -1.5146        0.5636    0.5626        1.7854    1.7836
 3     -0.0896   -0.0902        4.7766    4.7790       -0.5634   -0.5626
 4     -0.5636   -0.5626        0.0000    0.0000       -0.0905   -0.0902
 5     -6.5620   -6.5626        0.0905    0.0902        1.5140    1.5146
 6      0.5634    0.5626       -1.5140   -1.5146        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -4.5439   -4.5439        0.2707    0.2707
 2     -1.6878   -1.6878       -0.0000    0.0000        0.2707    0.2707
 3     -1.6878   -1.6878       -4.5439   -4.5439        0.0000    0.0000
 4     -4.5439   -4.5439        1.6878    1.6878        5.3509    5.3509
 5     -0.2707   -0.2707       14.3369   14.3369       -1.6878   -1.6878
 6    -19.6878  -19.6878        0.2707    0.2707        4.5439    4.5439
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1114    0.0000       -5.9125   -6.0585       -0.4070   -0.3609
 2      6.0186    6.0585       -1.8707   -2.2504       -7.0192   -7.1345
 3      0.2881    0.3609      -19.0450  -19.1159        2.1986    2.2504
 4      2.0427    2.2504        0.0181    0.0000        0.3260    0.3609
 5     26.3857   26.2504       -0.3817   -0.3609       -6.1222   -6.0585
 6     -2.3768   -2.2504        6.1667    6.0585       -0.0019    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0138    0.0000        5.1117    5.0563        5.3808    5.2117
 2     -5.1897   -5.0563      -15.5336  -15.6368       12.5911   12.5079
 3     -5.3143   -5.2117        2.1655    2.4589       15.6276   15.6368
 4     15.8359   15.6368        0.0247    0.0000       -5.0278   -5.2117
 5    -15.0436  -14.9668        5.4564    5.2117        4.9739    5.0563
 6    -15.6101  -15.6368       -5.0355   -5.0563       -0.0814    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      5.0628    5.2418       -4.7812   -4.7856      -12.0194  -12.0464
 2     25.8494   25.9825       -1.1763   -1.2503      -11.8373  -12.0464
 3     25.7983   25.9825       -4.9123   -4.7856      -15.3583  -15.4736
 4     -3.8224   -3.5353      -20.8048  -20.7407        7.7579    7.6647
 5     -3.4847   -3.4272       12.9172   13.2485       20.4780   20.7407
 6    -21.0178  -20.9132        3.8302    3.4272        3.4823    3.5353
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.0346   -0.0004    0.0007    0.0008    3.4271    4.8854
 Low frequencies ---   63.1900  107.0311  220.3022
 Diagonal vibrational polarizability:
       48.3094914      33.5599054      29.5400575
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     63.1892               107.0308               220.3022
 Red. masses --      6.2061                 4.8579                 4.3242
 Frc consts  --      0.0146                 0.0328                 0.1236
 IR Inten    --      5.4443                 7.0986                 3.3426
 RamAct Fr= 1--      0.8081                 0.2643                 0.3737
  Dep-P Fr= 1--      0.7481                 0.6986                 0.1581
  Dep-U Fr= 1--      0.8559                 0.8225                 0.2731
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0057
 Beta2  Fr= 1--      0.1153                 0.0362                 0.0170
 AlphaG Fr= 1--     -0.0003                -0.0009                 0.0063
 Gamma2 Fr= 1--      0.3704                 0.0267                 0.0268
 Delta2 Fr= 1--      0.2324                 0.0375                -0.0208
 Raman1 Fr= 1--       3.233                  1.057                  1.495
 ROA1   Fr= 1--      42.998                  3.761                  1.904
 CID1   Fr= 1--      13.302                  3.558                  1.274
 Raman2 Fr= 1--       1.383                  0.435                  0.204
 ROA2   Fr= 1--       7.032                  0.340                  0.809
 CID2   Fr= 1--       5.083                  0.783                  3.966
 Raman3 Fr= 1--       2.767                  0.870                  0.408
 ROA3   Fr= 1--      42.998                  3.761                  1.904
 CID3   Fr= 1--      15.542                  4.325                  4.666
 RC180  Fr= 1--       0.712                  0.645                 -0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.08  -0.08    -0.02   0.08  -0.04     0.11  -0.08   0.11
     2   6    -0.00  -0.07   0.04    -0.01   0.05   0.08     0.02   0.04   0.11
     3   6     0.03  -0.03   0.06    -0.08   0.01  -0.01    -0.05   0.00   0.04
     4   8    -0.15  -0.05  -0.26    -0.14  -0.05  -0.19    -0.05  -0.04  -0.01
     5   8    -0.03   0.24  -0.14     0.28  -0.20  -0.05     0.27   0.19   0.01
     6   7    -0.03  -0.04   0.09     0.06   0.11   0.18    -0.16  -0.10  -0.13
     7   8     0.20  -0.00   0.33    -0.12   0.01   0.02    -0.15  -0.01  -0.06
     8   1    -0.06  -0.13   0.06    -0.02  -0.04   0.10     0.08   0.20   0.07
     9   1     0.06  -0.21  -0.29    -0.18   0.20   0.17     0.21  -0.19  -0.09
    10   1     0.01  -0.18   0.08    -0.08   0.19  -0.34     0.02  -0.25   0.19
    11   1    -0.23  -0.07  -0.30    -0.08  -0.02  -0.10    -0.03  -0.04  -0.04
    12   1    -0.19   0.03   0.18     0.06   0.24   0.18    -0.15  -0.40  -0.12
    13   1     0.14  -0.02   0.19     0.14   0.10   0.26    -0.31  -0.05  -0.30
    14   1    -0.12   0.24  -0.32     0.40  -0.21   0.22     0.28   0.23  -0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    296.1839               347.7861               369.7117
 Red. masses --      3.1753                 1.1547                 2.7592
 Frc consts  --      0.1641                 0.0823                 0.2222
 IR Inten    --     22.6250                31.4443                14.3068
 RamAct Fr= 1--      0.4308                 0.3268                 0.5687
  Dep-P Fr= 1--      0.5183                 0.5251                 0.1488
  Dep-U Fr= 1--      0.6827                 0.6886                 0.2591
 Alpha2 Fr= 1--      0.0019                 0.0014                 0.0088
 Beta2  Fr= 1--      0.0490                 0.0375                 0.0246
 AlphaG Fr= 1--      0.0015                 0.0036                 0.0074
 Gamma2 Fr= 1--      0.0177                -0.2430                -0.1557
 Delta2 Fr= 1--     -0.0470                -0.0792                -0.0637
 Raman1 Fr= 1--       1.723                  1.307                  2.275
 ROA1   Fr= 1--       0.198                -25.862                -16.986
 CID1   Fr= 1--       0.115                -19.786                 -7.468
 Raman2 Fr= 1--       0.588                  0.450                  0.295
 ROA2   Fr= 1--       0.802                 -5.198                 -3.227
 CID2   Fr= 1--       1.364                -11.549                -10.950
 Raman3 Fr= 1--       1.176                  0.900                  0.589
 ROA3   Fr= 1--       0.198                -25.862                -16.986
 CID3   Fr= 1--       0.168                -28.733                -28.821
 RC180  Fr= 1--       0.365                  0.377                 -0.482
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13   0.15   0.03    -0.01   0.02   0.01     0.06  -0.12  -0.01
     2   6    -0.02  -0.08   0.08    -0.00  -0.00  -0.02    -0.02   0.02   0.03
     3   6     0.00  -0.06   0.02     0.00  -0.02  -0.01    -0.04   0.02   0.06
     4   8    -0.14   0.12   0.02     0.00   0.01   0.05    -0.15   0.10   0.02
     5   8     0.06   0.05   0.01     0.02  -0.00   0.01    -0.05  -0.04   0.00
     6   7     0.07  -0.15  -0.06    -0.05  -0.01  -0.05     0.24  -0.02  -0.07
     7   8     0.16  -0.07  -0.07     0.01  -0.03  -0.01    -0.07   0.01  -0.01
     8   1    -0.00  -0.01   0.06     0.03   0.01  -0.03    -0.10   0.06   0.04
     9   1    -0.46   0.22   0.17    -0.03   0.03   0.03     0.35  -0.18  -0.13
    10   1    -0.06   0.40  -0.20    -0.01   0.04  -0.02    -0.03  -0.36   0.17
    11   1    -0.32   0.07   0.10    -0.14  -0.04  -0.14    -0.30   0.07   0.08
    12   1     0.18  -0.28  -0.13    -0.56   0.19   0.27     0.25   0.06  -0.08
    13   1    -0.02  -0.08  -0.22     0.63   0.15   0.19     0.45   0.15  -0.14
    14   1     0.01  -0.05   0.19     0.18   0.12  -0.02     0.16   0.18  -0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    434.3827               515.5298               555.9972
 Red. masses --      1.1139                 4.3674                 4.2876
 Frc consts  --      0.1238                 0.6839                 0.7809
 IR Inten    --    104.7658                 3.4806                 6.6452
 RamAct Fr= 1--      0.9719                 1.9724                 2.8612
  Dep-P Fr= 1--      0.7460                 0.7052                 0.1034
  Dep-U Fr= 1--      0.8545                 0.8271                 0.1874
 Alpha2 Fr= 1--      0.0001                 0.0015                 0.0497
 Beta2  Fr= 1--      0.1384                 0.2719                 0.0894
 AlphaG Fr= 1--     -0.0000                -0.0089                 0.0082
 Gamma2 Fr= 1--     -0.1745                -0.9934                 0.5487
 Delta2 Fr= 1--     -0.3236                 0.0604                 0.0633
 Raman1 Fr= 1--       3.887                  7.890                 11.445
 ROA1   Fr= 1--     -27.110                -93.434                 54.700
 CID1   Fr= 1--      -6.974                -11.843                  4.779
 Raman2 Fr= 1--       1.661                  3.263                  1.072
 ROA2   Fr= 1--      -1.600                -24.326                 12.663
 CID2   Fr= 1--      -0.963                 -7.455                 11.810
 Raman3 Fr= 1--       3.322                  6.526                  2.144
 ROA3   Fr= 1--     -27.110                -93.434                 54.700
 CID3   Fr= 1--      -8.161                -14.318                 25.508
 RC180  Fr= 1--       0.709                  0.654                 -0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.00     0.04   0.01   0.06    -0.07  -0.02  -0.02
     2   6    -0.01   0.00   0.01    -0.08   0.07  -0.18    -0.11   0.18   0.19
     3   6     0.01   0.00   0.01    -0.12  -0.16  -0.11     0.05   0.02   0.24
     4   8     0.02  -0.03  -0.02    -0.13  -0.04   0.11    -0.00  -0.17  -0.05
     5   8    -0.05  -0.03   0.02     0.08   0.04   0.06    -0.04  -0.03  -0.04
     6   7    -0.01  -0.00   0.01    -0.03   0.24  -0.01    -0.02   0.10  -0.04
     7   8     0.02   0.00  -0.01     0.17  -0.16   0.01     0.17  -0.02  -0.18
     8   1    -0.02  -0.00   0.01     0.13   0.06  -0.22    -0.41   0.34   0.22
     9   1    -0.08   0.03   0.04     0.36  -0.02  -0.01     0.12  -0.06  -0.10
    10   1    -0.03   0.05  -0.06    -0.07  -0.24   0.19    -0.20  -0.23   0.02
    11   1     0.08  -0.01   0.02    -0.11  -0.03   0.23     0.22  -0.12  -0.09
    12   1     0.07  -0.05  -0.04     0.24   0.37  -0.19    -0.07   0.02   0.00
    13   1    -0.15  -0.04  -0.04    -0.34   0.02   0.06     0.18   0.29  -0.16
    14   1     0.71   0.61  -0.24     0.14   0.09   0.04    -0.21  -0.17   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    603.2116               773.3240               821.4572
 Red. masses --      4.4536                 6.1959                 2.6297
 Frc consts  --      0.9548                 2.1831                 1.0455
 IR Inten    --      5.6899                 7.0967                13.8269
 RamAct Fr= 1--      2.1268                 8.6710                 3.5637
  Dep-P Fr= 1--      0.5849                 0.0622                 0.0376
  Dep-U Fr= 1--      0.7381                 0.1170                 0.0725
 Alpha2 Fr= 1--      0.0066                 0.1664                 0.0725
 Beta2  Fr= 1--      0.2616                 0.1691                 0.0430
 AlphaG Fr= 1--      0.0017                 0.0065                -0.1486
 Gamma2 Fr= 1--      0.5978                -0.0711                 0.0054
 Delta2 Fr= 1--     -0.2074                 0.1069                 0.0184
 Raman1 Fr= 1--       8.507                 34.684                 14.255
 ROA1   Fr= 1--      50.750                 -3.401                  1.108
 CID1   Fr= 1--       5.966                 -0.098                  0.078
 Raman2 Fr= 1--       3.139                  2.030                  0.517
 ROA2   Fr= 1--      16.006                 -2.561                 -0.017
 CID2   Fr= 1--       5.099                 -1.262                 -0.033
 Raman3 Fr= 1--       6.279                  4.059                  1.033
 ROA3   Fr= 1--      50.750                 -3.401                  1.108
 CID3   Fr= 1--       8.083                 -0.838                  1.073
 RC180  Fr= 1--       0.476                 -0.766                 -0.855
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.27   0.13  -0.14    -0.20  -0.10   0.07    -0.05   0.02   0.03
     2   6     0.21   0.05   0.04    -0.07  -0.01  -0.04     0.06   0.10   0.21
     3   6     0.11  -0.09   0.17     0.33  -0.15   0.12    -0.04  -0.07  -0.19
     4   8    -0.14   0.06   0.02     0.15   0.21  -0.15     0.07   0.05   0.04
     5   8    -0.12  -0.07  -0.04     0.05   0.04   0.02    -0.05  -0.05  -0.09
     6   7    -0.11   0.06  -0.00    -0.04   0.15  -0.03     0.03   0.06   0.00
     7   8    -0.06  -0.13  -0.03    -0.16  -0.22   0.04     0.00  -0.06   0.05
     8   1    -0.02   0.08   0.07    -0.20   0.21  -0.05     0.35  -0.00   0.17
     9   1     0.16   0.20  -0.03    -0.22  -0.13   0.03     0.08  -0.06  -0.12
    10   1     0.37   0.28  -0.16    -0.24  -0.14   0.06    -0.22  -0.21   0.03
    11   1    -0.31   0.01   0.11    -0.34   0.09   0.17    -0.29  -0.08  -0.45
    12   1    -0.25  -0.16   0.10     0.17   0.33  -0.18    -0.12  -0.40   0.12
    13   1    -0.36  -0.11   0.06    -0.00   0.14  -0.00    -0.17   0.16  -0.25
    14   1    -0.06   0.01  -0.18     0.01  -0.02   0.12     0.02  -0.03  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    861.6314               882.8379               937.9882
 Red. masses --      1.6808                 1.5180                 1.2996
 Frc consts  --      0.7352                 0.6971                 0.6737
 IR Inten    --     96.1183                55.0206                71.5987
 RamAct Fr= 1--      1.0119                 4.5260                 1.9947
  Dep-P Fr= 1--      0.6824                 0.3024                 0.1442
  Dep-U Fr= 1--      0.8112                 0.4644                 0.2521
 Alpha2 Fr= 1--      0.0012                 0.0461                 0.0313
 Beta2  Fr= 1--      0.1368                 0.3503                 0.0838
 AlphaG Fr= 1--      0.0140                 0.0508                 0.0262
 Gamma2 Fr= 1--     -0.6592                -0.0387                -0.3389
 Delta2 Fr= 1--     -0.1438                 0.2424                -0.1081
 Raman1 Fr= 1--       4.048                 18.104                  7.979
 ROA1   Fr= 1--     -67.888                  4.046                -35.996
 CID1   Fr= 1--     -16.772                  0.223                 -4.512
 Raman2 Fr= 1--       1.642                  4.203                  1.006
 ROA2   Fr= 1--     -14.672                 -2.867                 -7.269
 CID2   Fr= 1--      -8.936                 -0.682                 -7.228
 Raman3 Fr= 1--       3.284                  8.407                  2.012
 ROA3   Fr= 1--     -67.888                  4.046                -35.996
 CID3   Fr= 1--     -20.674                  0.481                -17.895
 RC180  Fr= 1--       0.622                 -0.071                 -0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.08  -0.02    -0.05  -0.08   0.04    -0.04   0.11  -0.02
     2   6    -0.05   0.08   0.04     0.09  -0.02   0.05    -0.04  -0.01  -0.03
     3   6    -0.00  -0.04  -0.08    -0.02   0.00  -0.02     0.01  -0.00   0.02
     4   8     0.02   0.03  -0.04    -0.04  -0.01  -0.02     0.01   0.02  -0.03
     5   8    -0.02  -0.02  -0.01    -0.01  -0.00  -0.03     0.01  -0.01   0.00
     6   7    -0.08  -0.11   0.05     0.03   0.08  -0.08     0.07  -0.03  -0.02
     7   8     0.00  -0.04   0.04     0.01   0.01   0.02    -0.01  -0.01   0.00
     8   1    -0.07   0.04   0.05     0.23   0.04   0.02    -0.13  -0.08   0.00
     9   1     0.24   0.06  -0.07    -0.29  -0.09   0.06     0.40   0.03  -0.18
    10   1    -0.02  -0.06   0.05    -0.00   0.06  -0.10    -0.19  -0.26   0.25
    11   1     0.24   0.14   0.69     0.37   0.15   0.69     0.12   0.06   0.15
    12   1     0.21   0.00  -0.13    -0.32  -0.05   0.15    -0.39  -0.18   0.27
    13   1     0.40   0.27  -0.15    -0.05  -0.06   0.06    -0.27  -0.34   0.19
    14   1     0.03  -0.00   0.03    -0.05  -0.01  -0.09     0.10  -0.04   0.24
                     16                     17                     18
                      A                      A                      A
 Frequencies --    989.0197              1083.3586              1103.3671
 Red. masses --      2.5433                 1.8270                 2.7186
 Frc consts  --      1.4657                 1.2634                 1.9500
 IR Inten    --     80.8867                18.5533                62.1767
 RamAct Fr= 1--      3.5278                 2.4666                 2.6669
  Dep-P Fr= 1--      0.7482                 0.4977                 0.2973
  Dep-U Fr= 1--      0.8559                 0.6646                 0.4584
 Alpha2 Fr= 1--      0.0001                 0.0123                 0.0276
 Beta2  Fr= 1--      0.5033                 0.2732                 0.2037
 AlphaG Fr= 1--      0.0008                -0.0201                 0.0075
 Gamma2 Fr= 1--      0.2275                 0.2782                 0.0925
 Delta2 Fr= 1--      0.0601                -0.4227                 0.0754
 Raman1 Fr= 1--      14.111                  9.867                 10.667
 ROA1   Fr= 1--      23.767                 13.184                 11.298
 CID1   Fr= 1--       1.684                  1.336                  1.059
 Raman2 Fr= 1--       6.039                  3.279                  2.445
 ROA2   Fr= 1--       4.980                 10.059                  1.618
 CID2   Fr= 1--       0.825                  3.068                  0.662
 Raman3 Fr= 1--      12.078                  6.558                  4.890
 ROA3   Fr= 1--      23.767                 13.184                 11.298
 CID3   Fr= 1--       1.968                  2.010                  2.310
 RC180  Fr= 1--       0.712                  0.329                 -0.083
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.05  -0.17     0.09  -0.02   0.13     0.11   0.07   0.19
     2   6    -0.13  -0.05   0.09    -0.10   0.09  -0.01    -0.11  -0.19   0.04
     3   6    -0.05  -0.03  -0.09    -0.06  -0.03  -0.00     0.01   0.01  -0.01
     4   8     0.05   0.03  -0.02     0.04   0.04  -0.02     0.01  -0.01  -0.01
     5   8     0.04   0.03   0.17    -0.01  -0.01  -0.08    -0.03  -0.02  -0.16
     6   7     0.05   0.08  -0.05     0.06  -0.07   0.01     0.00   0.11  -0.05
     7   8     0.00  -0.03   0.02     0.01  -0.04   0.00    -0.01   0.02   0.00
     8   1    -0.59  -0.28   0.21    -0.15   0.42  -0.06    -0.38  -0.44   0.14
     9   1    -0.11   0.09   0.09    -0.03   0.15   0.42     0.06   0.03   0.13
    10   1     0.15   0.14  -0.30     0.01   0.11  -0.24     0.32   0.22   0.38
    11   1     0.04   0.02   0.04     0.06   0.03  -0.07     0.01  -0.00   0.03
    12   1    -0.23  -0.18   0.14    -0.11   0.11   0.10    -0.01  -0.02  -0.04
    13   1    -0.12   0.08  -0.14    -0.15  -0.35   0.26     0.02   0.24  -0.19
    14   1    -0.17   0.05  -0.24    -0.16   0.01  -0.41     0.17  -0.04   0.22
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1180.1003              1215.7691              1234.6811
 Red. masses --      1.3297                 2.5575                 1.5549
 Frc consts  --      1.0911                 2.2273                 1.3965
 IR Inten    --      3.5797                18.7585                12.9616
 RamAct Fr= 1--      1.8179                 5.1978                 2.0079
  Dep-P Fr= 1--      0.6905                 0.3723                 0.7354
  Dep-U Fr= 1--      0.8169                 0.5426                 0.8476
 Alpha2 Fr= 1--      0.0019                 0.0424                 0.0005
 Beta2  Fr= 1--      0.2475                 0.4701                 0.2836
 AlphaG Fr= 1--     -0.0069                 0.0321                -0.0027
 Gamma2 Fr= 1--      1.5627                -1.5879                 0.3603
 Delta2 Fr= 1--     -0.2442                -0.2152                 0.6579
 Raman1 Fr= 1--       7.272                 20.791                  8.031
 ROA1   Fr= 1--     142.203               -159.328                 55.639
 CID1   Fr= 1--      19.556                 -7.663                  6.928
 Raman2 Fr= 1--       2.970                  5.641                  3.404
 ROA2   Fr= 1--      39.459                -36.389                  3.383
 CID2   Fr= 1--      13.285                 -6.451                  0.994
 Raman3 Fr= 1--       5.940                 11.282                  6.807
 ROA3   Fr= 1--     142.203               -159.328                 55.639
 CID3   Fr= 1--      23.939                -14.122                  8.174
 RC180  Fr= 1--       0.634                  0.085                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.05    -0.01  -0.01   0.02    -0.01  -0.09   0.01
     2   6     0.03  -0.05   0.10    -0.01   0.03   0.02     0.04   0.14  -0.10
     3   6    -0.07  -0.01  -0.03     0.24   0.02  -0.19    -0.03  -0.01  -0.01
     4   8     0.03   0.02  -0.00    -0.08  -0.12   0.07    -0.01   0.02   0.00
     5   8    -0.01  -0.01   0.01    -0.00   0.01  -0.01    -0.01   0.01  -0.02
     6   7    -0.01  -0.01  -0.05     0.01  -0.02   0.01     0.03  -0.02   0.06
     7   8     0.01  -0.01   0.01    -0.02   0.09   0.01     0.01  -0.04   0.00
     8   1    -0.15   0.45   0.05    -0.46   0.37   0.04    -0.42   0.05   0.00
     9   1    -0.16  -0.16  -0.31    -0.04   0.02   0.07    -0.29  -0.17  -0.10
    10   1     0.18   0.07   0.20    -0.03  -0.01  -0.03     0.35   0.26   0.24
    11   1     0.07   0.02  -0.09    -0.56  -0.20   0.32     0.09   0.03  -0.06
    12   1     0.13   0.45  -0.17    -0.05   0.06   0.03    -0.12  -0.35   0.17
    13   1    -0.02  -0.26   0.27    -0.12  -0.15   0.10     0.00   0.10  -0.13
    14   1     0.14  -0.01   0.30     0.02  -0.00   0.06     0.18  -0.02   0.41
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1304.5257              1381.2243              1397.0290
 Red. masses --      1.6229                 1.2855                 1.2898
 Frc consts  --      1.6272                 1.4449                 1.4831
 IR Inten    --      6.4158                18.2652                42.6163
 RamAct Fr= 1--      6.4026                 5.1607                 0.5615
  Dep-P Fr= 1--      0.4238                 0.7500                 0.7122
  Dep-U Fr= 1--      0.5953                 0.8571                 0.8319
 Alpha2 Fr= 1--      0.0435                 0.0000                 0.0004
 Beta2  Fr= 1--      0.6353                 0.7372                 0.0779
 AlphaG Fr= 1--     -0.0338                -0.0001                 0.0027
 Gamma2 Fr= 1--     -0.8235                 0.4537                 0.1560
 Delta2 Fr= 1--     -0.5929                -1.5955                 0.4244
 Raman1 Fr= 1--      25.610                 20.643                  2.246
 ROA1   Fr= 1--     -98.026                 -7.504                 28.557
 CID1   Fr= 1--      -3.828                 -0.364                 12.714
 Raman2 Fr= 1--       7.623                  8.847                  0.934
 ROA2   Fr= 1--     -15.020                 23.652                  0.349
 CID2   Fr= 1--      -1.970                  2.674                  0.373
 Raman3 Fr= 1--      15.247                 17.694                  1.869
 ROA3   Fr= 1--     -98.026                 -7.504                 28.557
 CID3   Fr= 1--      -6.429                 -0.424                 15.283
 RC180  Fr= 1--       0.191                  0.714                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.01  -0.04    -0.02   0.07   0.02    -0.08  -0.07  -0.07
     2   6    -0.20   0.02   0.01    -0.00  -0.09  -0.04     0.01  -0.05   0.02
     3   6     0.05   0.00   0.03    -0.01  -0.01   0.00    -0.04   0.00   0.01
     4   8     0.01  -0.02  -0.01     0.00   0.00  -0.00     0.03  -0.00  -0.01
     5   8    -0.02   0.00   0.01     0.04  -0.04   0.02     0.00   0.02  -0.02
     6   7     0.04  -0.00   0.01     0.01   0.02   0.05    -0.00   0.01   0.02
     7   8    -0.00   0.01  -0.01    -0.00   0.01  -0.00     0.01   0.01  -0.00
     8   1     0.72   0.09  -0.18    -0.08   0.54  -0.14     0.15   0.33  -0.07
     9   1    -0.29  -0.14  -0.22    -0.09  -0.14  -0.32     0.54   0.28   0.43
    10   1     0.21   0.11   0.02     0.07   0.05   0.28     0.29   0.28   0.15
    11   1    -0.20  -0.06   0.14     0.02   0.01   0.00    -0.20  -0.06   0.12
    12   1    -0.12  -0.07   0.11    -0.07  -0.25   0.12    -0.03  -0.07   0.04
    13   1    -0.09   0.01  -0.07     0.02   0.21  -0.19    -0.00   0.08  -0.07
    14   1     0.08  -0.02   0.24    -0.17   0.02  -0.50     0.06   0.00   0.13
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1403.0479              1424.0577              1494.1842
 Red. masses --      1.2986                 1.5290                 1.0835
 Frc consts  --      1.5062                 1.8269                 1.4253
 IR Inten    --    158.7730               238.1005                 6.9507
 RamAct Fr= 1--      2.5354                 3.2206                 4.4615
  Dep-P Fr= 1--      0.6206                 0.0585                 0.7399
  Dep-U Fr= 1--      0.7659                 0.1105                 0.8505
 Alpha2 Fr= 1--      0.0060                 0.0623                 0.0008
 Beta2  Fr= 1--      0.3237                 0.0593                 0.6324
 AlphaG Fr= 1--     -0.0052                -0.0164                -0.0028
 Gamma2 Fr= 1--      1.1460                 0.1027                 0.0433
 Delta2 Fr= 1--      0.8750                 0.1559                -0.1022
 Raman1 Fr= 1--      10.142                 12.882                 17.846
 ROA1   Fr= 1--     138.019                 14.852                  0.891
 CID1   Fr= 1--      13.609                  1.153                  0.050
 Raman2 Fr= 1--       3.884                  0.712                  7.589
 ROA2   Fr= 1--      20.504                  1.219                  1.858
 CID2   Fr= 1--       5.279                  1.713                  0.245
 Raman3 Fr= 1--       7.768                  1.423                 15.178
 ROA3   Fr= 1--     138.019                 14.852                  0.891
 CID3   Fr= 1--      17.768                 10.437                  0.059
 RC180  Fr= 1--       0.532                 -0.779                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.01  -0.01    -0.06  -0.01  -0.03     0.04   0.01  -0.07
     2   6    -0.02  -0.09  -0.01    -0.05   0.05   0.04     0.01  -0.00  -0.00
     3   6     0.06   0.02  -0.03     0.12   0.02  -0.05    -0.01  -0.01   0.00
     4   8    -0.06   0.01   0.02    -0.08   0.01   0.04     0.00   0.00  -0.00
     5   8    -0.03   0.03  -0.00     0.03  -0.02   0.00     0.00   0.00  -0.01
     6   7     0.01   0.01   0.03     0.01  -0.02  -0.02    -0.00  -0.00   0.00
     7   8    -0.01  -0.03   0.01    -0.02  -0.04   0.01     0.00   0.00  -0.00
     8   1     0.00   0.41  -0.10     0.17  -0.18   0.05     0.01   0.04  -0.01
     9   1     0.06   0.07   0.14     0.14   0.05   0.04    -0.46   0.29   0.45
    10   1    -0.22  -0.17  -0.36     0.33   0.26   0.40    -0.07  -0.47   0.52
    11   1     0.50   0.16  -0.27     0.53   0.16  -0.31     0.00   0.00   0.00
    12   1    -0.04  -0.12   0.07     0.01   0.17  -0.04     0.00  -0.00   0.00
    13   1     0.03   0.17  -0.15    -0.03  -0.09   0.05     0.01   0.02  -0.02
    14   1     0.12  -0.01   0.36    -0.10   0.01  -0.29     0.01   0.00  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1654.2561              1828.2977              3038.4971
 Red. masses --      1.0927                 9.4761                 1.0772
 Frc consts  --      1.7618                18.6627                 5.8598
 IR Inten    --     36.9986               299.7617                 6.7302
 RamAct Fr= 1--      2.7279                12.0563                50.4056
  Dep-P Fr= 1--      0.7000                 0.2695                 0.6467
  Dep-U Fr= 1--      0.8235                 0.4246                 0.7855
 Alpha2 Fr= 1--      0.0024                 0.1352                 0.0937
 Beta2  Fr= 1--      0.3744                 0.8532                 6.5985
 AlphaG Fr= 1--     -0.0026                 0.1130                 0.0078
 Gamma2 Fr= 1--      0.3172                 0.5883                 1.5607
 Delta2 Fr= 1--     -0.0354                -0.1254                 1.1707
 Raman1 Fr= 1--      10.912                 48.225                201.622
 ROA1   Fr= 1--      29.315                 52.460                187.292
 CID1   Fr= 1--       2.687                  1.088                  0.929
 Raman2 Fr= 1--       4.493                 10.239                 79.183
 ROA2   Fr= 1--       7.895                 15.121                 28.091
 CID2   Fr= 1--       1.757                  1.477                  0.355
 Raman3 Fr= 1--       8.986                 20.478                158.365
 ROA3   Fr= 1--      29.315                 52.460                187.292
 CID3   Fr= 1--       3.262                  2.562                  1.183
 RC180  Fr= 1--       0.647                 -0.151                  0.571
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.01   0.02   0.01    -0.02  -0.01   0.02
     2   6     0.03   0.00  -0.00     0.01  -0.04  -0.00    -0.01  -0.01  -0.07
     3   6    -0.01  -0.00   0.01    -0.04   0.71  -0.07     0.00  -0.00  -0.00
     4   8     0.00   0.00  -0.00     0.03  -0.06  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   7     0.03  -0.06   0.03     0.00  -0.01   0.00     0.00   0.00   0.00
     7   8     0.00   0.00  -0.00     0.03  -0.43   0.04     0.00   0.00  -0.00
     8   1    -0.03  -0.03   0.01     0.00   0.01  -0.01     0.16   0.15   0.86
     9   1     0.00  -0.01  -0.01    -0.06   0.02  -0.01    -0.02   0.29  -0.18
    10   1    -0.02  -0.01  -0.01    -0.08  -0.08   0.01     0.22  -0.17  -0.10
    11   1    -0.02  -0.01   0.03    -0.45  -0.08   0.24    -0.00  -0.00  -0.00
    12   1    -0.28   0.65   0.15    -0.00   0.03  -0.01    -0.01  -0.00  -0.01
    13   1    -0.34   0.22  -0.55    -0.02  -0.02  -0.00     0.00  -0.00  -0.01
    14   1    -0.00  -0.00   0.00    -0.04  -0.01  -0.08    -0.00   0.00   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3052.9221              3096.1255              3438.1170
 Red. masses --      1.0630                 1.1094                 1.0639
 Frc consts  --      5.8373                 6.2656                 7.4095
 IR Inten    --     38.6098                19.4046               254.3440
 RamAct Fr= 1--    176.6535                64.0684                70.5670
  Dep-P Fr= 1--      0.0237                 0.7242                 0.0731
  Dep-U Fr= 1--      0.0463                 0.8401                 0.1363
 Alpha2 Fr= 1--      3.7137                 0.0284                 1.3188
 Beta2  Fr= 1--      1.3624                 8.9702                 1.6029
 AlphaG Fr= 1--     -0.2413                 0.0821                 0.0415
 Gamma2 Fr= 1--     -1.1140                -0.9342                -1.3588
 Delta2 Fr= 1--     -2.4712                 1.7693                 0.6330
 Raman1 Fr= 1--     706.614                256.273                282.268
 ROA1   Fr= 1--    -186.026                -33.064               -110.188
 CID1   Fr= 1--      -0.263                 -0.129                 -0.390
 Raman2 Fr= 1--      16.349                107.642                 19.235
 ROA2   Fr= 1--      -6.967                -36.575                -37.675
 CID2   Fr= 1--      -0.426                 -0.340                 -1.959
 Raman3 Fr= 1--      32.697                215.285                 38.471
 ROA3   Fr= 1--    -186.026                -33.064               -110.188
 CID3   Fr= 1--      -5.689                 -0.154                 -2.864
 RC180  Fr= 1--      -0.907                  0.680                 -0.727
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.05    -0.05   0.08  -0.01     0.00  -0.00  -0.00
     2   6     0.01   0.01   0.04    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     4   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.02  -0.06   0.00
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     6   7     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
     7   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   1    -0.08  -0.08  -0.43     0.00  -0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.04   0.58  -0.35     0.03  -0.55   0.34    -0.00  -0.01   0.00
    10   1     0.44  -0.34  -0.20     0.57  -0.42  -0.26     0.00   0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00  -0.01   0.00    -0.26   0.95  -0.07
    12   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.07  -0.01  -0.11
    13   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.03   0.06   0.05
    14   1    -0.00   0.01   0.00    -0.02   0.01  -0.00     0.00  -0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3484.1621              3577.8283              3781.8944
 Red. masses --      1.0524                 1.0910                 1.0661
 Frc consts  --      7.5268                 8.2281                 8.9838
 IR Inten    --      7.6458                13.3337                43.9343
 RamAct Fr= 1--     77.7748                63.1866                48.7362
  Dep-P Fr= 1--      0.0726                 0.4759                 0.1256
  Dep-U Fr= 1--      0.1353                 0.6449                 0.2232
 Alpha2 Fr= 1--      1.4555                 0.3477                 0.8010
 Beta2  Fr= 1--      1.7541                 6.7917                 1.8132
 AlphaG Fr= 1--     -0.0509                 0.3218                 0.2165
 Gamma2 Fr= 1--      1.4116                 1.9820                 1.1324
 Delta2 Fr= 1--      0.8736                -2.5216                 0.6778
 Raman1 Fr= 1--     311.099                252.747                194.945
 ROA1   Fr= 1--     163.465                109.581                130.397
 CID1   Fr= 1--       0.525                  0.434                  0.669
 Raman2 Fr= 1--      21.049                 81.501                 21.759
 ROA2   Fr= 1--      26.889                 67.740                 21.755
 CID2   Fr= 1--       1.277                  0.831                  1.000
 Raman3 Fr= 1--      42.098                163.001                 43.518
 ROA3   Fr= 1--     163.465                109.581                130.397
 CID3   Fr= 1--       3.883                  0.672                  2.996
 RC180  Fr= 1--      -0.729                  0.290                 -0.554
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   8     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.03  -0.05  -0.02
     6   7    -0.04   0.02  -0.03     0.00  -0.05  -0.06     0.00   0.00   0.00
     7   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   1     0.00  -0.00   0.01     0.00   0.00   0.01     0.00   0.00   0.00
     9   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.00
    10   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.01   0.00
    11   1    -0.04   0.15  -0.01     0.00  -0.02   0.00    -0.00   0.00   0.00
    12   1     0.45   0.06   0.74     0.26   0.02   0.38    -0.00  -0.00  -0.00
    13   1     0.15  -0.34  -0.27    -0.33   0.65   0.50     0.00  -0.00  -0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.54   0.78   0.30

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   506.68189 760.814481041.61622
           X            0.99945   0.02814  -0.01731
           Y           -0.02800   0.99958   0.00801
           Z            0.01753  -0.00752   0.99982
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.17094     0.11384     0.08315
 Rotational constants (GHZ):           3.56188     2.37212     1.73264
 Zero-point vibrational energy     298785.5 (Joules/Mol)
                                   71.41144 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     90.92   153.99   316.97   426.14   500.39
          (Kelvin)            531.93   624.98   741.73   799.96   867.89
                             1112.64  1181.89  1239.70  1270.21  1349.56
                             1422.98  1558.71  1587.50  1697.90  1749.22
                             1776.43  1876.92  1987.27  2010.01  2018.67
                             2048.90  2149.80  2380.11  2630.51  4371.72
                             4392.47  4454.63  4946.68  5012.93  5147.70
                             5441.30
 
 Zero-point correction=                           0.113801 (Hartree/Particle)
 Thermal correction to Energy=                    0.121169
 Thermal correction to Enthalpy=                  0.122113
 Thermal correction to Gibbs Free Energy=         0.081993
 Sum of electronic and zero-point Energies=           -399.042925
 Sum of electronic and thermal Energies=              -399.035558
 Sum of electronic and thermal Enthalpies=            -399.034614
 Sum of electronic and thermal Free Energies=         -399.074734
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   76.034             26.353             84.439
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.487
 Vibrational             74.257             20.392             17.088
 Vibration     1          0.597              1.972              4.355
 Vibration     2          0.606              1.944              3.322
 Vibration     3          0.647              1.810              1.957
 Vibration     4          0.690              1.681              1.438
 Vibration     5          0.725              1.580              1.176
 Vibration     6          0.742              1.534              1.081
 Vibration     7          0.795              1.395              0.844
 Vibration     8          0.871              1.216              0.620
 Vibration     9          0.911              1.127              0.532
 Vibration    10          0.962              1.025              0.444
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.193178D-37        -37.714042        -86.839791
 Total V=0       0.427474D+15         14.630909         33.688913
 Vib (Bot)       0.201256D-50        -50.696251       -116.732431
 Vib (Bot)    1  0.326676D+01          0.514118          1.183799
 Vib (Bot)    2  0.191477D+01          0.282116          0.649596
 Vib (Bot)    3  0.897760D+00         -0.046840         -0.107853
 Vib (Bot)    4  0.643462D+00         -0.191477         -0.440893
 Vib (Bot)    5  0.531257D+00         -0.274695         -0.632509
 Vib (Bot)    6  0.492531D+00         -0.307566         -0.708197
 Vib (Bot)    7  0.399742D+00         -0.398220         -0.916935
 Vib (Bot)    8  0.314384D+00         -0.502540         -1.157141
 Vib (Bot)    9  0.280626D+00         -0.551871         -1.270731
 Vib (Bot)   10  0.246723D+00         -0.607791         -1.399490
 Vib (V=0)       0.445349D+02          1.648701          3.796274
 Vib (V=0)    1  0.380480D+01          0.580332          1.336265
 Vib (V=0)    2  0.247897D+01          0.394272          0.907845
 Vib (V=0)    3  0.152761D+01          0.184011          0.423701
 Vib (V=0)    4  0.131489D+01          0.118889          0.273752
 Vib (V=0)    5  0.122954D+01          0.089744          0.206643
 Vib (V=0)    6  0.120185D+01          0.079849          0.183858
 Vib (V=0)    7  0.114015D+01          0.056963          0.131161
 Vib (V=0)    8  0.109062D+01          0.037675          0.086750
 Vib (V=0)    9  0.107337D+01          0.030749          0.070802
 Vib (V=0)   10  0.105756D+01          0.024305          0.055963
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.226833D+06          5.355707         12.331970
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3      3  3 3          333                                        1     1    11111  1 111 11                                    
     7      5  4 4          000                                        8     6    44433  3 221 10  9 9 888 7    6 55  4 33 2 2   1   
     8      7  8 3          953                                        2     5    92098  0 318 08  8 3 862 7    0 51  3 74 9 2   06  
     2      8  4 8          638                                        8     4    44371  5 560 33  9 8 321 3    3 66  4 08 6 0   73  
 
     X      X  X X          XXX                                        X     X    XXXXX  X XXX XX  X X XXX X    X XX  X XX X X   XX  
     X           X           X                                         X     X     XXX         X   X X XX             X  X X         
     X           X           X                                         X           XXX         X   X X XX             X              
                 X                                                     X           XX          X   X X XX             X              
                 X                                                     X           XX              X X  X             X              
                 X                                                     X           XX                   X             X              
                 X                                                     X           XX                                 X              
                 X                                                     X           XX                                                
                 X                                                     X           XX                                                
                 X                                                     X           XX                                                
                 X                                                     X           XX                                                
                 X                                                     X           X                                                 
                 X                                                     X           X                                                 
                 X                                                     X           X                                                 
                 X                                                     X           X                                                 
                 X                                                     X           X                                                 
                 X                                                     X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000005347   -0.000015151   -0.000030963
      2        6           0.000024133   -0.000000624   -0.000022125
      3        6          -0.000009176    0.000035579    0.000003115
      4        8          -0.000017177    0.000012263    0.000001555
      5        8           0.000000892    0.000007850    0.000030094
      6        7          -0.000000930   -0.000007522   -0.000000191
      7        8           0.000004612   -0.000011958   -0.000000181
      8        1          -0.000007095   -0.000000484    0.000004012
      9        1           0.000001561   -0.000002852    0.000003600
     10        1          -0.000000409    0.000000258   -0.000004125
     11        1           0.000008091   -0.000021923    0.000003150
     12        1          -0.000000170    0.000002120    0.000006210
     13        1           0.000000967   -0.000000688    0.000000993
     14        1           0.000000048    0.000003131    0.000004857
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035579 RMS     0.000011981
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.613217D+02  0.180451D+00 -0.302924D+01
      2   0.180451D+00  0.648889D+02 -0.112521D+01
      3  -0.302924D+01 -0.112521D+01  0.517638D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.179276D+01  0.803619D+01 -0.561908D+01
      2  -0.132479D+02 -0.446119D+01 -0.136900D+02
      3   0.106754D+02 -0.194681D+01  0.302222D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.151517D+02 -0.642533D+01 -0.176888D+02
      2   0.101967D+02  0.141009D+02 -0.221522D+01
      3   0.495495D+01 -0.767562D+01  0.199041D+02
      4   0.151506D+02 -0.352654D+01 -0.932031D+01
      5   0.209594D+01 -0.102509D+02 -0.295090D+02
      6  -0.455733D+01  0.141423D+02  0.103651D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.639923D+00 -0.374673D+01 -0.998122D+00 -0.449033D+01  0.124702D+01
      2  -0.374673D+01 -0.187774D+00  0.166319D+01  0.124702D+01  0.154653D+01
      3  -0.998122D+00  0.166319D+01  0.103605D+01  0.144276D+01 -0.325379D+01
                 6             7             8             9            10 
      1   0.144276D+01 -0.159677D+01  0.150319D+01  0.279238D+01  0.288064D-01
      2  -0.325379D+01  0.150319D+01 -0.271903D+01  0.239537D+01  0.395575D+01
      3   0.191236D+01  0.279238D+01  0.239537D+01  0.139742D+01  0.131878D+00
                11            12            13            14            15 
      1   0.395575D+01  0.131878D+00  0.322360D+01 -0.755651D+00 -0.755625D+00
      2   0.298211D+00 -0.109100D+01 -0.755651D+00 -0.234853D+01  0.144636D+01
      3  -0.109100D+01 -0.149836D+01 -0.755625D+00  0.144636D+01 -0.115377D+01
                16            17            18            19            20 
      1   0.101145D+01 -0.592424D-01 -0.126644D+01  0.157152D+01 -0.240421D+01
      2  -0.592424D-01  0.138684D+01 -0.197509D+01 -0.240421D+01  0.378772D+00
      3  -0.126644D+01 -0.197509D+01 -0.574875D+01  0.266025D+00  0.790689D+00
                21            22            23            24            25 
      1   0.266025D+00 -0.114073D+01 -0.233085D+00  0.103317D+01 -0.530009D-01
      2   0.790689D+00 -0.233085D+00  0.650732D+01 -0.584239D+00  0.112782D+01
      3   0.589437D+00  0.103317D+01 -0.584239D+00  0.400466D+00  0.223874D+00
                26            27            28            29            30 
      1   0.112782D+01  0.223874D+00  0.706223D+01  0.107413D+01 -0.164117D+01
      2  -0.138886D+01  0.263157D+00  0.107413D+01  0.176138D+01 -0.377506D+00
      3   0.263157D+00  0.276592D+00 -0.164117D+01 -0.377506D+00  0.127807D+01
                31            32            33            34            35 
      1  -0.190997D+01  0.326757D+01  0.244534D+00 -0.164847D+01 -0.454426D+00
      2   0.326757D+01 -0.253095D+01 -0.492034D+00 -0.454426D+00  0.129308D+00
      3   0.244534D+00 -0.492034D+00  0.132213D+00  0.206908D+01  0.818652D+00
                36            37            38            39            40 
      1   0.206908D+01 -0.323618D+01  0.339054D+00 -0.148927D+01  0.177885D+01
      2   0.818652D+00  0.339054D+00 -0.187178D+01 -0.103989D+01 -0.164399D+01
      3  -0.234367D+01 -0.148927D+01 -0.103989D+01 -0.195201D+01 -0.944819D+00
                41            42            43            44            45 
      1  -0.164399D+01 -0.944819D+00 -0.130091D+01 -0.161365D+01 -0.301018D+01
      2   0.188177D+01  0.512490D+00 -0.161365D+01  0.257721D+00 -0.778582D+00
      3   0.512490D+00  0.136520D+01 -0.301018D+01 -0.778582D+00 -0.371499D+01
                46            47            48            49            50 
      1   0.708314D+00 -0.987655D+00  0.526200D+00 -0.608760D+00  0.276759D+01
      2  -0.987655D+00  0.284012D+01  0.563833D+00  0.276759D+01  0.237550D+01
      3   0.526200D+00  0.563833D+00  0.252236D+01  0.633573D+00 -0.265386D+01
                51            52            53            54            55 
      1   0.633573D+00  0.404395D+00  0.717561D+00  0.244385D+01  0.251543D+00
      2  -0.265386D+01  0.717561D+00 -0.308353D+01  0.825916D-01 -0.270806D+01
      3   0.279410D+00  0.244385D+01  0.825916D-01  0.132895D+01  0.344141D+00
                56            57            58            59            60 
      1  -0.270806D+01  0.344141D+00 -0.344124D+01  0.113592D+01 -0.243692D+00
      2   0.127756D+01 -0.551835D+00  0.113592D+01 -0.136475D+02  0.856523D+00
      3  -0.551835D+00 -0.394710D-01 -0.243692D+00  0.856523D+00 -0.254427D+01
                61            62            63            64            65 
      1   0.594774D+00 -0.440384D+00  0.324991D+00  0.588755D+00 -0.159098D+00
      2  -0.440384D+00  0.675426D+00 -0.302495D+01 -0.159098D+00  0.305994D+00
      3   0.324991D+00 -0.302495D+01  0.842670D+00  0.143063D+01  0.408643D+00
                66            67            68            69            70 
      1   0.143063D+01 -0.292861D+00  0.309911D+00  0.359291D+00  0.168773D+01
      2   0.408643D+00  0.309911D+00  0.149609D+01  0.129052D+01  0.147675D+00
      3   0.995964D+00  0.359291D+00  0.129052D+01  0.102254D+01  0.895256D+00
                71            72            73            74            75 
      1   0.147675D+00  0.895256D+00  0.242208D+00 -0.474591D+00  0.823982D+00
      2   0.173055D+01  0.163561D+01 -0.474591D+00 -0.385656D+00 -0.563461D-01
      3   0.163561D+01  0.871754D+01  0.823982D+00 -0.563461D-01  0.832993D-01
                76            77            78            79            80 
      1  -0.131350D+01 -0.123503D+01  0.439973D+00  0.108209D+01  0.429033D+00
      2  -0.123503D+01 -0.546752D+01  0.284168D+01  0.429033D+00  0.256640D+01
      3   0.439973D+00  0.284168D+01 -0.311364D+01 -0.695681D+00 -0.252214D+01
                81            82            83            84            85 
      1  -0.695681D+00 -0.602080D+01  0.192562D+01  0.202928D+01  0.347837D+01
      2  -0.252214D+01  0.192562D+01 -0.150750D+01 -0.787653D+00 -0.191062D+01
      3   0.334379D+01  0.202928D+01 -0.787653D+00 -0.194615D+01 -0.111961D+01
                86            87            88            89            90 
      1  -0.191062D+01 -0.111961D+01  0.199533D+01 -0.594020D+00 -0.199814D+01
      2   0.204840D+01  0.137043D+01 -0.594020D+00  0.106772D+01  0.666334D+00
      3   0.137043D+01  0.128664D+01 -0.199814D+01  0.666334D+00  0.161163D+01
                91            92            93            94            95 
      1  -0.202526D+00  0.176418D+01  0.188052D+00  0.420579D+01 -0.592941D+00
      2   0.176418D+01 -0.319994D+00 -0.237292D+00 -0.592941D+00  0.489812D+01
      3   0.188052D+00 -0.237292D+00  0.334695D+00 -0.893556D+00 -0.501585D+00
                96            97            98            99           100 
      1  -0.893556D+00 -0.109606D+00 -0.259165D+00  0.634221D+00 -0.116501D+01
      2  -0.501585D+00 -0.259165D+00 -0.444887D+00  0.583683D+00  0.648808D+00
      3   0.106967D+01  0.634221D+00  0.583683D+00 -0.809025D+00 -0.152635D+01
               101           102           103           104           105 
      1   0.648808D+00 -0.152635D+01  0.210297D+00 -0.572068D+00  0.923241D-01
      2  -0.128854D+01  0.517788D+00 -0.572068D+00  0.209245D+00 -0.566899D+00
      3   0.517788D+00 -0.208455D+01  0.923241D-01 -0.566899D+00  0.101005D+00
               106           107           108           109           110 
      1  -0.262720D+01  0.256839D+00 -0.191865D+01 -0.739090D+00  0.159591D+01
      2   0.256839D+00 -0.208429D+01  0.108749D+01  0.159591D+01 -0.272730D+01
      3  -0.191865D+01  0.108749D+01 -0.446406D+01  0.312807D+00 -0.630861D+00
               111           112           113           114           115 
      1   0.312807D+00  0.224511D+01 -0.253100D+01 -0.785333D+00  0.111726D+01
      2  -0.630861D+00 -0.253100D+01  0.667465D+01  0.175362D+01 -0.116013D+01
      3  -0.670087D+00 -0.785333D+00  0.175362D+01  0.153753D+01 -0.806980D+00
               116           117           118           119           120 
      1  -0.116013D+01 -0.806980D+00  0.155016D+01 -0.823094D+00 -0.398091D+00
      2   0.347528D+01  0.183360D+01 -0.823094D+00  0.142651D+01  0.828237D+00
      3   0.183360D+01  0.159068D+01 -0.398091D+00  0.828237D+00  0.135075D+01
               121           122           123           124           125 
      1  -0.194461D+01  0.746373D+00  0.497009D+00 -0.557079D+00  0.398900D+00
      2   0.746373D+00 -0.364316D+01 -0.201922D+01  0.398900D+00 -0.156864D+01
      3   0.497009D+00 -0.201922D+01 -0.229535D+01  0.312415D+00 -0.106572D+01
               126 
      1   0.312415D+00
      2  -0.106572D+01
      3  -0.202878D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.556747D+01 -0.109499D+01  0.192236D+01 -0.344113D-01 -0.602083D+00
      2   0.775190D+01  0.296628D+01  0.115803D+01  0.545531D+01  0.510792D+01
      3  -0.741819D+01  0.459736D+00  0.326951D+01  0.690311D+01  0.588581D+01
                 6             7             8             9            10 
      1  -0.438320D+01  0.157410D+01 -0.286352D+01  0.376121D+01  0.470892D+01
      2  -0.441927D+01 -0.257460D+01 -0.428235D+01 -0.286217D+01 -0.405818D+01
      3  -0.582231D+01  0.144748D+01 -0.484468D+01  0.288345D+01  0.175189D+01
                11            12            13            14            15 
      1   0.935429D+00 -0.152084D-01  0.600766D+00 -0.119614D+01  0.123535D+01
      2  -0.355777D+01  0.261690D+01 -0.616586D+01 -0.227410D+01 -0.724700D+00
      3  -0.418669D+01 -0.136206D+01  0.154446D+01  0.150364D+01  0.130428D+01
                16            17            18            19            20 
      1   0.644638D+00  0.614702D+01 -0.654217D+00 -0.118094D+01  0.284918D+01
      2  -0.231745D+01 -0.104749D+01 -0.384442D+00 -0.941360D+01  0.186621D+01
      3   0.220652D+01  0.181730D+01 -0.759392D+00  0.524529D+01 -0.376845D+01
                21            22            23            24            25 
      1   0.586939D+00  0.352352D+01  0.163157D+01  0.789113D+01 -0.168343D+01
      2  -0.241745D+01 -0.133894D+01  0.127590D+01  0.177184D+01 -0.166797D+02
      3  -0.392550D+00 -0.529185D+01 -0.939062D+01 -0.272050D+01 -0.221496D+00
                26            27            28            29            30 
      1   0.830049D+01 -0.158565D+01  0.120267D+01 -0.347998D+01 -0.228440D+01
      2   0.295378D+01  0.728571D+01  0.135851D+01 -0.167271D+01  0.707601D+01
      3  -0.291489D+01  0.130621D+00  0.234810D+01 -0.120875D+02  0.436810D+00
                31            32            33            34            35 
      1  -0.297075D+01  0.371058D+01 -0.337597D+01  0.429098D+00  0.274617D+01
      2  -0.198815D+01  0.117563D+01 -0.335273D+00  0.538664D+01 -0.611325D+00
      3  -0.822070D+01  0.131600D+02  0.108861D+01 -0.401319D+00  0.227284D+01
                36            37            38            39            40 
      1   0.701680D+00 -0.151587D+01  0.312885D+01 -0.185332D+01  0.938170D+00
      2  -0.576272D+01 -0.641007D+00  0.403377D+01  0.102548D+02  0.218325D+01
      3  -0.147585D+01  0.511439D+01 -0.789628D+01 -0.278195D+01 -0.358911D+01
                41            42            43            44            45 
      1  -0.426501D+01 -0.471262D+01 -0.262845D+00  0.428334D+01 -0.494726D+01
      2  -0.216664D+01 -0.196631D+01 -0.511901D+00  0.103462D+00  0.791525D+01
      3   0.470499D+01  0.136916D+01 -0.122638D+01 -0.159819D+00  0.541554D+00
                46            47            48            49            50 
      1  -0.178355D+01 -0.280835D+01 -0.564012D+01 -0.331921D+01  0.906414D+01
      2   0.648502D+00 -0.171119D+01  0.496986D+01  0.961488D+00  0.159212D+00
      3   0.153710D+01 -0.860745D+01  0.262076D+01  0.264520D+01  0.439978D+01
                51            52            53            54            55 
      1  -0.439188D+01 -0.663672D+01  0.512478D+01 -0.181628D+01  0.182982D+00
      2   0.788089D+00 -0.223863D+01  0.114775D+01  0.439684D+00  0.194968D+01
      3   0.178115D+01  0.975669D+00  0.281559D+01  0.554900D+01  0.174790D+01
                56            57            58            59            60 
      1   0.297906D-01  0.139368D+01  0.435911D+00 -0.225591D+01 -0.116351D+02
      2  -0.812722D+00  0.315589D+01  0.311703D+01 -0.500887D+00 -0.386790D+01
      3  -0.220290D+01  0.529737D+00  0.132109D+02  0.153080D+02 -0.211179D+00
                61            62            63            64            65 
      1   0.759176D+00  0.464497D+00  0.444930D+00 -0.864936D+00  0.154800D+00
      2   0.905640D+00 -0.465023D+01 -0.786309D+00 -0.275747D+00 -0.569492D-01
      3   0.451356D+00  0.658213D-01  0.398786D+01  0.764762D-01 -0.616291D+00
                66            67            68            69            70 
      1  -0.290354D+00 -0.118016D+00  0.168276D+01 -0.397532D+00 -0.293637D+00
      2  -0.553331D+00  0.618489D+00 -0.344508D+00 -0.164885D+00 -0.357807D+01
      3   0.937240D+00  0.121999D+01  0.137056D+00  0.250119D+00  0.774198D+00
                71            72            73            74            75 
      1   0.310392D+01 -0.243224D+01 -0.669567D-01 -0.151165D+00 -0.345816D-01
      2  -0.525692D+00 -0.227423D+01 -0.238003D+01  0.150307D+00 -0.438435D+00
      3  -0.591277D-01  0.707052D+00 -0.120470D+01 -0.510820D+00 -0.440109D+00
                76            77            78            79            80 
      1  -0.852780D+00 -0.540689D+01 -0.807729D+00  0.237485D+00  0.292729D+01
      2   0.157913D+01 -0.347671D+01  0.482212D+01 -0.180191D+01  0.331245D+01
      3   0.147361D+01 -0.960824D+01  0.473140D+01 -0.656005D+00  0.433691D+01
                81            82            83            84            85 
      1  -0.114400D+00  0.212063D+01 -0.193267D+01 -0.134029D+00 -0.149899D+01
      2  -0.454770D+01  0.220025D+01 -0.328156D+00  0.348085D+01 -0.201497D+01
      3  -0.413264D+01  0.414072D+01 -0.547045D+01 -0.196856D+01 -0.227338D+01
                86            87            88            89            90 
      1   0.224025D+01  0.219624D+00 -0.745107D+00  0.238167D+01  0.302520D+00
      2  -0.682330D+00 -0.218801D+01  0.462014D+00 -0.519758D+00 -0.122770D+01
      3   0.464289D+01  0.267556D+01 -0.114166D+01  0.258289D+01  0.132150D+01
                91            92            93            94            95 
      1  -0.162043D+01  0.262750D+01 -0.121187D+01  0.279425D+01 -0.461861D+01
      2  -0.171144D+01  0.145504D+01 -0.768714D+00  0.162595D+01 -0.289467D+01
      3  -0.311773D+01  0.649642D+01  0.514389D+00  0.101276D+02 -0.176321D+02
                96            97            98            99           100 
      1  -0.518612D+00 -0.953964D+00  0.131562D+01  0.548457D+00  0.350683D+01
      2   0.258492D+01 -0.163075D+01  0.166630D+01 -0.168807D+00 -0.133773D+01
      3   0.292184D+00 -0.866988D-01 -0.398247D+00  0.113794D+00 -0.273867D+01
               101           102           103           104           105 
      1   0.195868D+00  0.532119D+01  0.748864D+00  0.175402D+01 -0.186479D+00
      2   0.134475D+00  0.389908D-01 -0.529051D+00 -0.871382D+00 -0.385298D+00
      3  -0.183694D+00 -0.320261D+01  0.418233D+00 -0.155634D+01  0.730411D-01
               106           107           108           109           110 
      1   0.503517D+01  0.670504D-01  0.912176D+01 -0.503260D+00  0.185534D+01
      2  -0.269097D+01 -0.510816D+00  0.226254D+00  0.427746D+00  0.381048D-01
      3  -0.632546D+01 -0.379467D+00 -0.422889D+01 -0.210398D+01  0.223295D+01
               111           112           113           114           115 
      1   0.215836D+01  0.284117D+01 -0.428925D+01 -0.493308D+01  0.221632D+01
      2   0.399418D+00 -0.406333D+00  0.104577D+00 -0.574839D+00 -0.102152D+01
      3   0.588662D+00  0.674917D+01 -0.432714D+01 -0.213769D+01  0.333978D+01
               116           117           118           119           120 
      1  -0.352750D+01 -0.386412D+01  0.138138D+01 -0.230961D+01  0.813544D-01
      2   0.108841D+00 -0.427049D+00  0.396706D+01 -0.306830D+01 -0.308996D+01
      3  -0.212007D+01 -0.197414D+01 -0.546821D+01  0.389656D+01  0.181415D+01
               121           122           123           124           125 
      1  -0.157439D+01  0.311421D+01  0.113223D+00 -0.230677D+00  0.197400D+01
      2  -0.309734D+01  0.538799D+01  0.465951D+01 -0.236823D+01  0.276457D+01
      3   0.574216D+01 -0.713714D+01 -0.418781D+01  0.864014D+00 -0.301504D+01
               126 
      1  -0.298168D-01
      2   0.408821D+01
      3  -0.266391D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.719432D+01  0.119986D+02  0.698014D+01  0.142806D+02  0.776027D+00
      2   0.248822D+01 -0.871425D+01 -0.224150D+01 -0.993957D+01 -0.344300D+00
      3   0.470610D+01 -0.328433D+01 -0.473865D+01 -0.434106D+01 -0.431727D+00
      4   0.137220D+02 -0.245850D+01 -0.681787D+01 -0.464657D+01 -0.204715D+01
      5   0.532181D+01 -0.981007D+01 -0.754241D+01 -0.121979D+02  0.112777D+02
      6  -0.403468D+01 -0.201141D+00  0.775976D+00  0.315007D+01  0.775941D+01
                 6             7             8             9            10 
      1  -0.104431D+02  0.290759D+01 -0.884856D+01 -0.539636D+01 -0.384872D+01
      2   0.751815D+01 -0.330934D+01  0.185097D+01  0.326177D+01  0.743609D+01
      3   0.292496D+01  0.401745D+00  0.699759D+01  0.213459D+01 -0.358737D+01
      4   0.935049D+01 -0.988558D+01  0.569808D+01 -0.557360D+01 -0.246942D+01
      5  -0.410460D+01 -0.167494D+02 -0.620027D+01 -0.252222D+01  0.236169D+00
      6  -0.971260D+01 -0.188767D+01 -0.120156D+02  0.324075D+01  0.423793D+00
                11            12            13            14            15 
      1  -0.126612D+01  0.391288D+01 -0.533641D+01  0.445961D+01  0.148225D+01
      2   0.172076D+01  0.240858D+01  0.328032D+01 -0.755592D+01  0.285647D+01
      3  -0.454635D+00 -0.632145D+01  0.205609D+01  0.309631D+01 -0.433872D+01
      4   0.482453D+01  0.483919D+00 -0.494263D+01 -0.334584D+01 -0.137266D+00
      5   0.280335D+01  0.236302D+01  0.590151D+01 -0.115198D+01 -0.147632D+01
      6  -0.183537D+01 -0.244381D+01 -0.438454D+00  0.152643D+01 -0.322786D+01
                16            17            18            19            20 
      1  -0.825132D+00 -0.326680D+00  0.132704D+02 -0.698641D+01 -0.713941D+01
      2   0.251726D+01  0.113203D+02  0.959526D+01  0.204708D+01  0.645018D+01
      3  -0.169213D+01 -0.109936D+02 -0.228657D+02  0.493933D+01  0.689226D+00
      4   0.428712D+01 -0.192813D+01 -0.731780D+00 -0.478982D+01 -0.249559D+01
      5   0.220142D+00  0.129064D+01 -0.112660D+01  0.464793D+01  0.251895D+01
      6  -0.763305D+00 -0.277441D+01 -0.951439D+01  0.608546D+00 -0.118478D+00
                21            22            23            24            25 
      1  -0.101863D+01 -0.204006D+01  0.139087D+02 -0.136356D+01  0.639966D+01
      2  -0.706276D+01  0.500346D+01 -0.259720D+02 -0.287262D+01 -0.636154D+01
      3   0.808139D+01 -0.296340D+01  0.120634D+02  0.423618D+01 -0.381171D-01
      4   0.199420D+01 -0.157215D+02  0.191369D+02 -0.232365D+01  0.488803D+01
      5  -0.377177D+01  0.283898D+01 -0.515183D+01  0.115253D+01  0.166570D+01
      6  -0.122512D+01 -0.210366D+01  0.338303D+01 -0.121735D+02  0.181526D+01
                26            27            28            29            30 
      1   0.276657D+01 -0.280723D+01  0.422626D+02  0.501799D+01 -0.474781D+01
      2  -0.870980D+00 -0.376541D+01 -0.269091D+02 -0.126416D+01  0.741796D+01
      3  -0.189559D+01  0.657264D+01 -0.153535D+02 -0.375383D+01 -0.267015D+01
      4   0.205258D+01  0.197553D+01  0.112976D+02  0.113484D+02 -0.204871D+01
      5   0.967601D+00  0.740208D+01 -0.905715D+01 -0.125693D+01  0.139960D+02
      6   0.233732D+01  0.293385D+01 -0.413058D+00 -0.943299D+00  0.308749D+01
                31            32            33            34            35 
      1  -0.458263D+01  0.826002D+01  0.151757D+01 -0.501863D+01 -0.134465D+01
      2   0.545884D+01 -0.388164D+01 -0.212676D+00  0.601428D+01  0.772179D+00
      3  -0.876211D+00 -0.437838D+01 -0.130489D+01 -0.995648D+00  0.572471D+00
      4   0.129177D+02 -0.235278D+01 -0.155977D+01 -0.361988D+01 -0.163804D+01
      5   0.139798D+01 -0.195859D+01  0.496432D+00  0.135836D+02  0.353371D+01
      6  -0.167975D+01  0.112960D+01  0.686167D+01  0.496638D+00  0.456758D+01
                36            37            38            39            40 
      1   0.411431D+01  0.198813D+02 -0.442819D+01  0.989896D+00 -0.639275D+01
      2  -0.107119D+02 -0.119452D+02  0.500588D+01 -0.367039D+01  0.613746D+01
      3   0.659758D+01 -0.793612D+01 -0.577685D+00  0.268049D+01  0.255290D+00
      4   0.263020D+01  0.441763D+01  0.947077D+01  0.362526D+01  0.885139D+01
      5  -0.118476D+02  0.106885D+02  0.228256D+01  0.128484D+02  0.272670D+01
      6  -0.161285D+01  0.348484D-01  0.701565D+01  0.557387D+01  0.397741D+01
                41            42            43            44            45 
      1   0.726496D+01  0.453042D+01  0.486978D+01  0.565110D+01  0.182735D+01
      2  -0.198973D+01 -0.350729D+01 -0.436068D+01 -0.195211D+01 -0.142741D+02
      3  -0.527523D+01 -0.102313D+01 -0.509102D+00 -0.369899D+01  0.124468D+02
      4  -0.110835D+01  0.680528D+00  0.763925D+01  0.220665D+01  0.405534D+01
      5   0.178337D+01 -0.181183D+01  0.184838D+02  0.455652D+01  0.174544D+02
      6  -0.433872D+01  0.240272D+01  0.471506D+01  0.699418D+01  0.283360D+01
                46            47            48            49            50 
      1   0.117970D+02 -0.731048D+01 -0.242748D+01 -0.506529D+01 -0.100816D+02
      2  -0.848282D+01  0.127084D+02  0.489974D+01  0.115036D+02  0.132189D+02
      3  -0.331421D+01 -0.539796D+01 -0.247226D+01 -0.643835D+01 -0.313727D+01
      4   0.101707D+01 -0.304095D+01  0.246825D+01  0.259955D+01  0.117818D+02
      5  -0.226333D+01 -0.537490D+00  0.594140D+00 -0.167056D+01  0.220915D+01
      6   0.200210D+01  0.367025D+01  0.982804D+01  0.319375D+01 -0.149179D+02
                51            52            53            54            55 
      1   0.694757D+01 -0.371075D+01  0.871678D+01 -0.190566D+01  0.471078D+01
      2  -0.118175D+02  0.724116D+01 -0.164928D+02 -0.129161D+00  0.185835D+01
      3   0.486991D+01 -0.353041D+01  0.777605D+01  0.203483D+01 -0.656913D+01
      4   0.233420D+01  0.173872D+01  0.386394D+01  0.949506D+01 -0.961301D+01
      5   0.150174D+01  0.223099D+01  0.207371D+01 -0.378589D+01  0.241534D+01
      6   0.496492D+01  0.986147D+01  0.111129D+01  0.203053D+01 -0.125955D+01
                56            57            58            59            60 
      1  -0.446721D+01 -0.199896D-01 -0.573266D+01 -0.288482D+02  0.311423D+01
      2  -0.475982D+00  0.114961D+01 -0.155314D+01  0.518413D+02 -0.939374D+00
      3   0.494319D+01 -0.112962D+01  0.728581D+01 -0.229931D+02 -0.217485D+01
      4   0.157000D+02 -0.187444D+01  0.200797D+02 -0.336313D+02  0.415170D+01
      5  -0.286326D+01  0.544846D+01 -0.181651D+01  0.764548D+01 -0.676222D+01
      6   0.171903D+01 -0.216162D+01  0.313324D+01 -0.526577D+01  0.172854D+02
                61            62            63            64            65 
      1   0.504689D+00  0.933695D+00 -0.626823D+01  0.886523D-01 -0.126673D+01
      2   0.134617D+01 -0.653613D+00  0.385248D+01 -0.389477D+01  0.452772D+00
      3  -0.185086D+01 -0.280083D+00  0.241575D+01  0.380611D+01  0.813961D+00
      4  -0.171242D+01  0.209590D+01 -0.792261D+01  0.669678D+00  0.218944D+01
      5   0.573394D+01 -0.844846D+01  0.279132D+01  0.120336D+01  0.113771D+01
      6  -0.263457D+01  0.145276D+02 -0.297725D+01  0.210494D+01  0.150349D+01
                66            67            68            69            70 
      1  -0.248611D+01 -0.277263D+00 -0.516341D+01 -0.292671D+01 -0.153031D+01
      2  -0.174227D+01 -0.446131D+00  0.112864D+01  0.717506D+00 -0.932976D+00
      3   0.422838D+01  0.723395D+00  0.403477D+01  0.220921D+01  0.246328D+01
      4   0.182947D+01  0.252371D+01  0.238767D+00  0.382422D+00  0.593784D+00
      5   0.692498D+01  0.395474D+00  0.606522D+00  0.407184D+00  0.567680D+01
      6   0.174660D+01  0.127948D+01  0.377851D+01  0.857833D+01  0.103653D+01
                71            72            73            74            75 
      1  -0.481151D+01 -0.204777D+02  0.117030D+01  0.158558D+01 -0.362340D+01
      2  -0.107810D+01 -0.172397D+02  0.148893D-01  0.623383D-01  0.150888D+01
      3   0.588961D+01  0.377174D+02 -0.118519D+01 -0.164792D+01  0.211452D+01
      4   0.708798D+00  0.121137D+01  0.149577D+01  0.419871D+01 -0.148071D+01
      5   0.346232D-01  0.162372D+01 -0.304940D+01 -0.120838D+01  0.277899D+01
      6   0.795504D+01  0.137827D+02 -0.224428D+01 -0.455087D+00 -0.173570D-01
                76            77            78            79            80 
      1   0.284318D+01 -0.677052D+01  0.599198D+01 -0.257028D+01  0.506379D+01
      2  -0.972964D+00  0.922760D+01 -0.278236D+01  0.219727D+01 -0.108981D+01
      3  -0.187022D+01 -0.245708D+01 -0.320962D+01  0.373002D+00 -0.397398D+01
      4   0.750315D+01  0.158781D+02 -0.824434D+01 -0.248846D+01 -0.667949D+01
      5  -0.392069D+01 -0.970523D+01  0.104781D+02  0.568089D+01  0.808130D+01
      6  -0.278841D+01 -0.154263D+02  0.128908D+02  0.171482D+01  0.115609D+02
                81            82            83            84            85 
      1  -0.629362D+01  0.306624D+02 -0.854927D+01 -0.849582D+01 -0.134760D+02
      2  -0.177352D+01 -0.182409D+02  0.446652D+01  0.719422D+01  0.757013D+01
      3   0.806714D+01 -0.124215D+02  0.408275D+01  0.130160D+01  0.590587D+01
      4   0.654540D+01 -0.106568D+02  0.907196D+01  0.426726D+01  0.113365D+02
      5  -0.103288D+02 -0.164628D+02  0.585473D+01  0.127705D+02  0.900147D+01
      6  -0.119913D+02  0.288993D+01 -0.263872D+01 -0.116293D+01 -0.342465D+01
                86            87            88            89            90 
      1   0.557178D+01  0.372212D+01 -0.696290D+01  0.165473D+01  0.490480D+01
      2  -0.142439D+01 -0.381908D+01  0.696828D+01 -0.199441D+01 -0.680068D+01
      3  -0.414740D+01  0.969601D-01 -0.538173D-02  0.339681D+00  0.189588D+01
      4  -0.109299D+02 -0.601724D+01  0.360098D+01 -0.421580D+01 -0.398225D+01
      5  -0.718088D+01 -0.750558D+01  0.132715D+02 -0.460117D+01 -0.100481D+02
      6   0.306043D+01  0.404286D+01 -0.191700D+01  0.420472D+01  0.253834D+01
                91            92            93            94            95 
      1  -0.593768D+01  0.262200D+01  0.692474D+00  0.133472D+02 -0.470307D+01
      2   0.672019D+01  0.176025D+00 -0.143553D+01 -0.861358D+01  0.742220D+01
      3  -0.782505D+00 -0.279803D+01  0.743053D+00 -0.473360D+01 -0.271913D+01
      4   0.520258D+01  0.197833D+01 -0.288001D+00  0.578719D+01  0.142912D+02
      5   0.160545D+01 -0.104382D+01 -0.972411D+00 -0.371073D+01 -0.109163D+01
      6  -0.488813D+00 -0.430770D+00  0.230494D+01 -0.120376D+01 -0.351550D+01
                96            97            98            99           100 
      1  -0.134702D+01  0.119710D+01  0.752521D+00 -0.977924D+00  0.118671D+01
      2   0.126773D+01 -0.753426D+00 -0.362755D+00 -0.189038D+00 -0.638866D+00
      3   0.792862D-01 -0.443674D+00 -0.389766D+00  0.116696D+01 -0.547841D+00
      4  -0.306175D+01 -0.871416D+00 -0.179599D+01  0.263603D+01 -0.432625D+01
      5   0.479226D+01  0.231530D+01  0.217679D+01 -0.145549D+01  0.423765D+01
      6   0.139913D+01  0.149076D+01  0.262165D+01 -0.196592D+01 -0.471836D+01
               101           102           103           104           105 
      1   0.222209D+01  0.360734D+00  0.497826D+00 -0.547583D+00  0.989091D+00
      2  -0.395952D+01 -0.169827D+01 -0.169868D+01  0.148130D+01 -0.191245D+01
      3   0.173743D+01  0.133753D+01  0.120085D+01 -0.933713D+00  0.923355D+00
      4   0.546329D+01 -0.504001D+01  0.339143D+01 -0.132589D+01  0.154522D+01
      5  -0.125704D+01  0.499339D+01 -0.382232D+00  0.172158D+01 -0.847544D+00
      6   0.259879D+01 -0.830322D+01  0.158995D+01 -0.131767D+01  0.225270D+01
               106           107           108           109           110 
      1   0.869775D+00  0.374289D+01 -0.345544D+01 -0.117670D+01  0.519326D+01
      2  -0.286475D+01 -0.531633D+01 -0.404032D+01  0.515625D+01 -0.123231D+02
      3   0.199498D+01  0.157345D+01  0.749577D+01 -0.397955D+01  0.712982D+01
      4  -0.841267D+01  0.406360D+01 -0.740320D+01 -0.520691D+01  0.103857D+02
      5   0.488343D+01 -0.243458D+01  0.751298D+01 -0.149101D+01  0.174731D+01
      6  -0.719465D+01  0.485432D+01 -0.150796D+02  0.275154D+01 -0.502142D+01
               111           112           113           114           115 
      1   0.107755D+01  0.427417D+01 -0.163535D+02 -0.475526D+01  0.200755D+01
      2  -0.249209D+01 -0.105736D+02  0.321295D+02  0.882581D+01 -0.410250D+01
      3   0.141454D+01  0.629944D+01 -0.157759D+02 -0.407055D+01  0.209495D+01
      4   0.228861D+01  0.108265D+02 -0.145143D+02 -0.461662D+01  0.433992D+01
      5   0.269816D+01  0.690083D+00 -0.241095D+01 -0.158607D+01  0.247481D+01
      6  -0.366735D+01 -0.515013D+01  0.131348D+02  0.880541D+01 -0.461246D+01
               116           117           118           119           120 
      1  -0.868640D+01 -0.564050D+01 -0.485370D+01  0.602852D+01  0.476656D+01
      2   0.142651D+02  0.651205D+01  0.350944D+01 -0.442623D+01 -0.221669D+01
      3  -0.557868D+01 -0.871547D+00  0.134425D+01 -0.160229D+01 -0.254987D+01
      4  -0.722937D+01 -0.432824D+01 -0.579652D+00 -0.174717D+01 -0.532439D+00
      5  -0.236602D+01 -0.230824D+01 -0.106178D+01  0.507196D+00 -0.136567D+01
      6   0.126482D+02  0.901531D+01  0.234305D+01 -0.486293D+01 -0.433552D+01
               121           122           123           124           125 
      1   0.753978D+01 -0.110324D+02 -0.670943D+01  0.388134D+01 -0.451415D+01
      2  -0.491557D+01  0.112372D+02  0.517739D+01 -0.157972D+01  0.235260D+01
      3  -0.262421D+01 -0.204792D+00  0.153204D+01 -0.230163D+01  0.216155D+01
      4   0.815582D+00  0.810926D+01  0.448684D+01 -0.973886D-01  0.279727D+01
      5   0.746434D+00  0.340730D+01  0.526596D+01  0.185020D+01  0.151607D+01
      6  -0.256433D+01  0.988443D+01  0.739382D+01 -0.194042D+01  0.629620D+01
               126 
      1  -0.540336D+01
      2   0.119307D+01
      3   0.421029D+01
      4   0.139274D+01
      5   0.360914D+01
      6   0.564091D+01
 Leave Link  716 at Thu Aug 12 22:12:03 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.613217D+02  0.180451D+00 -0.302924D+01
      2   0.180451D+00  0.648889D+02 -0.112521D+01
      3  -0.302924D+01 -0.112521D+01  0.517638D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.179276D+01  0.803619D+01 -0.561908D+01
      2  -0.132479D+02 -0.446119D+01 -0.136900D+02
      3   0.106754D+02 -0.194681D+01  0.302222D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.151517D+02 -0.642533D+01 -0.176888D+02
      2   0.101967D+02  0.141009D+02 -0.221522D+01
      3   0.495495D+01 -0.767562D+01  0.199041D+02
      4   0.151506D+02 -0.352654D+01 -0.932031D+01
      5   0.209594D+01 -0.102509D+02 -0.295090D+02
      6  -0.455733D+01  0.141423D+02  0.103651D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.639923D+00 -0.374673D+01 -0.998122D+00 -0.449033D+01  0.124702D+01
      2  -0.374673D+01 -0.187774D+00  0.166319D+01  0.124702D+01  0.154653D+01
      3  -0.998122D+00  0.166319D+01  0.103605D+01  0.144276D+01 -0.325379D+01
                 6             7             8             9            10 
      1   0.144276D+01 -0.159677D+01  0.150319D+01  0.279238D+01  0.288064D-01
      2  -0.325379D+01  0.150319D+01 -0.271903D+01  0.239537D+01  0.395575D+01
      3   0.191236D+01  0.279238D+01  0.239537D+01  0.139742D+01  0.131878D+00
                11            12            13            14            15 
      1   0.395575D+01  0.131878D+00  0.322360D+01 -0.755651D+00 -0.755625D+00
      2   0.298211D+00 -0.109100D+01 -0.755651D+00 -0.234853D+01  0.144636D+01
      3  -0.109100D+01 -0.149836D+01 -0.755625D+00  0.144636D+01 -0.115377D+01
                16            17            18            19            20 
      1   0.101145D+01 -0.592424D-01 -0.126644D+01  0.157152D+01 -0.240421D+01
      2  -0.592424D-01  0.138684D+01 -0.197509D+01 -0.240421D+01  0.378772D+00
      3  -0.126644D+01 -0.197509D+01 -0.574875D+01  0.266025D+00  0.790689D+00
                21            22            23            24            25 
      1   0.266025D+00 -0.114073D+01 -0.233085D+00  0.103317D+01 -0.530009D-01
      2   0.790689D+00 -0.233085D+00  0.650732D+01 -0.584239D+00  0.112782D+01
      3   0.589437D+00  0.103317D+01 -0.584239D+00  0.400466D+00  0.223874D+00
                26            27            28            29            30 
      1   0.112782D+01  0.223874D+00  0.706223D+01  0.107413D+01 -0.164117D+01
      2  -0.138886D+01  0.263157D+00  0.107413D+01  0.176138D+01 -0.377506D+00
      3   0.263157D+00  0.276592D+00 -0.164117D+01 -0.377506D+00  0.127807D+01
                31            32            33            34            35 
      1  -0.190997D+01  0.326757D+01  0.244534D+00 -0.164847D+01 -0.454426D+00
      2   0.326757D+01 -0.253095D+01 -0.492034D+00 -0.454426D+00  0.129308D+00
      3   0.244534D+00 -0.492034D+00  0.132213D+00  0.206908D+01  0.818652D+00
                36            37            38            39            40 
      1   0.206908D+01 -0.323618D+01  0.339054D+00 -0.148927D+01  0.177885D+01
      2   0.818652D+00  0.339054D+00 -0.187178D+01 -0.103989D+01 -0.164399D+01
      3  -0.234367D+01 -0.148927D+01 -0.103989D+01 -0.195201D+01 -0.944819D+00
                41            42            43            44            45 
      1  -0.164399D+01 -0.944819D+00 -0.130091D+01 -0.161365D+01 -0.301018D+01
      2   0.188177D+01  0.512490D+00 -0.161365D+01  0.257721D+00 -0.778582D+00
      3   0.512490D+00  0.136520D+01 -0.301018D+01 -0.778582D+00 -0.371499D+01
                46            47            48            49            50 
      1   0.708314D+00 -0.987655D+00  0.526200D+00 -0.608760D+00  0.276759D+01
      2  -0.987655D+00  0.284012D+01  0.563833D+00  0.276759D+01  0.237550D+01
      3   0.526200D+00  0.563833D+00  0.252236D+01  0.633573D+00 -0.265386D+01
                51            52            53            54            55 
      1   0.633573D+00  0.404395D+00  0.717561D+00  0.244385D+01  0.251543D+00
      2  -0.265386D+01  0.717561D+00 -0.308353D+01  0.825916D-01 -0.270806D+01
      3   0.279410D+00  0.244385D+01  0.825916D-01  0.132895D+01  0.344141D+00
                56            57            58            59            60 
      1  -0.270806D+01  0.344141D+00 -0.344124D+01  0.113592D+01 -0.243692D+00
      2   0.127756D+01 -0.551835D+00  0.113592D+01 -0.136475D+02  0.856523D+00
      3  -0.551835D+00 -0.394710D-01 -0.243692D+00  0.856523D+00 -0.254427D+01
                61            62            63            64            65 
      1   0.594774D+00 -0.440384D+00  0.324991D+00  0.588755D+00 -0.159098D+00
      2  -0.440384D+00  0.675426D+00 -0.302495D+01 -0.159098D+00  0.305994D+00
      3   0.324991D+00 -0.302495D+01  0.842670D+00  0.143063D+01  0.408643D+00
                66            67            68            69            70 
      1   0.143063D+01 -0.292861D+00  0.309911D+00  0.359291D+00  0.168773D+01
      2   0.408643D+00  0.309911D+00  0.149609D+01  0.129052D+01  0.147675D+00
      3   0.995964D+00  0.359291D+00  0.129052D+01  0.102254D+01  0.895256D+00
                71            72            73            74            75 
      1   0.147675D+00  0.895256D+00  0.242208D+00 -0.474591D+00  0.823982D+00
      2   0.173055D+01  0.163561D+01 -0.474591D+00 -0.385656D+00 -0.563461D-01
      3   0.163561D+01  0.871754D+01  0.823982D+00 -0.563461D-01  0.832993D-01
                76            77            78            79            80 
      1  -0.131350D+01 -0.123503D+01  0.439973D+00  0.108209D+01  0.429033D+00
      2  -0.123503D+01 -0.546752D+01  0.284168D+01  0.429033D+00  0.256640D+01
      3   0.439973D+00  0.284168D+01 -0.311364D+01 -0.695681D+00 -0.252214D+01
                81            82            83            84            85 
      1  -0.695681D+00 -0.602080D+01  0.192562D+01  0.202928D+01  0.347837D+01
      2  -0.252214D+01  0.192562D+01 -0.150750D+01 -0.787653D+00 -0.191062D+01
      3   0.334379D+01  0.202928D+01 -0.787653D+00 -0.194615D+01 -0.111961D+01
                86            87            88            89            90 
      1  -0.191062D+01 -0.111961D+01  0.199533D+01 -0.594020D+00 -0.199814D+01
      2   0.204840D+01  0.137043D+01 -0.594020D+00  0.106772D+01  0.666334D+00
      3   0.137043D+01  0.128664D+01 -0.199814D+01  0.666334D+00  0.161163D+01
                91            92            93            94            95 
      1  -0.202526D+00  0.176418D+01  0.188052D+00  0.420579D+01 -0.592941D+00
      2   0.176418D+01 -0.319994D+00 -0.237292D+00 -0.592941D+00  0.489812D+01
      3   0.188052D+00 -0.237292D+00  0.334695D+00 -0.893556D+00 -0.501585D+00
                96            97            98            99           100 
      1  -0.893556D+00 -0.109606D+00 -0.259165D+00  0.634221D+00 -0.116501D+01
      2  -0.501585D+00 -0.259165D+00 -0.444887D+00  0.583683D+00  0.648808D+00
      3   0.106967D+01  0.634221D+00  0.583683D+00 -0.809025D+00 -0.152635D+01
               101           102           103           104           105 
      1   0.648808D+00 -0.152635D+01  0.210297D+00 -0.572068D+00  0.923241D-01
      2  -0.128854D+01  0.517788D+00 -0.572068D+00  0.209245D+00 -0.566899D+00
      3   0.517788D+00 -0.208455D+01  0.923241D-01 -0.566899D+00  0.101005D+00
               106           107           108           109           110 
      1  -0.262720D+01  0.256839D+00 -0.191865D+01 -0.739090D+00  0.159591D+01
      2   0.256839D+00 -0.208429D+01  0.108749D+01  0.159591D+01 -0.272730D+01
      3  -0.191865D+01  0.108749D+01 -0.446406D+01  0.312807D+00 -0.630861D+00
               111           112           113           114           115 
      1   0.312807D+00  0.224511D+01 -0.253100D+01 -0.785333D+00  0.111726D+01
      2  -0.630861D+00 -0.253100D+01  0.667465D+01  0.175362D+01 -0.116013D+01
      3  -0.670087D+00 -0.785333D+00  0.175362D+01  0.153753D+01 -0.806980D+00
               116           117           118           119           120 
      1  -0.116013D+01 -0.806980D+00  0.155016D+01 -0.823094D+00 -0.398091D+00
      2   0.347528D+01  0.183360D+01 -0.823094D+00  0.142651D+01  0.828237D+00
      3   0.183360D+01  0.159068D+01 -0.398091D+00  0.828237D+00  0.135075D+01
               121           122           123           124           125 
      1  -0.194461D+01  0.746373D+00  0.497009D+00 -0.557079D+00  0.398900D+00
      2   0.746373D+00 -0.364316D+01 -0.201922D+01  0.398900D+00 -0.156864D+01
      3   0.497009D+00 -0.201922D+01 -0.229535D+01  0.312415D+00 -0.106572D+01
               126 
      1   0.312415D+00
      2  -0.106572D+01
      3  -0.202878D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.556747D+01 -0.109499D+01  0.192236D+01 -0.344113D-01 -0.602083D+00
      2   0.775190D+01  0.296628D+01  0.115803D+01  0.545531D+01  0.510792D+01
      3  -0.741819D+01  0.459736D+00  0.326951D+01  0.690311D+01  0.588581D+01
                 6             7             8             9            10 
      1  -0.438320D+01  0.157410D+01 -0.286352D+01  0.376121D+01  0.470892D+01
      2  -0.441927D+01 -0.257460D+01 -0.428235D+01 -0.286217D+01 -0.405818D+01
      3  -0.582231D+01  0.144748D+01 -0.484468D+01  0.288345D+01  0.175189D+01
                11            12            13            14            15 
      1   0.935429D+00 -0.152084D-01  0.600766D+00 -0.119614D+01  0.123535D+01
      2  -0.355777D+01  0.261690D+01 -0.616586D+01 -0.227410D+01 -0.724700D+00
      3  -0.418669D+01 -0.136206D+01  0.154446D+01  0.150364D+01  0.130428D+01
                16            17            18            19            20 
      1   0.644638D+00  0.614702D+01 -0.654217D+00 -0.118094D+01  0.284918D+01
      2  -0.231745D+01 -0.104749D+01 -0.384442D+00 -0.941360D+01  0.186621D+01
      3   0.220652D+01  0.181730D+01 -0.759392D+00  0.524529D+01 -0.376845D+01
                21            22            23            24            25 
      1   0.586939D+00  0.352352D+01  0.163157D+01  0.789113D+01 -0.168343D+01
      2  -0.241745D+01 -0.133894D+01  0.127590D+01  0.177184D+01 -0.166797D+02
      3  -0.392550D+00 -0.529185D+01 -0.939062D+01 -0.272050D+01 -0.221496D+00
                26            27            28            29            30 
      1   0.830049D+01 -0.158565D+01  0.120267D+01 -0.347998D+01 -0.228440D+01
      2   0.295378D+01  0.728571D+01  0.135851D+01 -0.167271D+01  0.707601D+01
      3  -0.291489D+01  0.130621D+00  0.234810D+01 -0.120875D+02  0.436810D+00
                31            32            33            34            35 
      1  -0.297075D+01  0.371058D+01 -0.337597D+01  0.429098D+00  0.274617D+01
      2  -0.198815D+01  0.117563D+01 -0.335273D+00  0.538664D+01 -0.611325D+00
      3  -0.822070D+01  0.131600D+02  0.108861D+01 -0.401319D+00  0.227284D+01
                36            37            38            39            40 
      1   0.701680D+00 -0.151587D+01  0.312885D+01 -0.185332D+01  0.938170D+00
      2  -0.576272D+01 -0.641007D+00  0.403377D+01  0.102548D+02  0.218325D+01
      3  -0.147585D+01  0.511439D+01 -0.789628D+01 -0.278195D+01 -0.358911D+01
                41            42            43            44            45 
      1  -0.426501D+01 -0.471262D+01 -0.262845D+00  0.428334D+01 -0.494726D+01
      2  -0.216664D+01 -0.196631D+01 -0.511901D+00  0.103462D+00  0.791525D+01
      3   0.470499D+01  0.136916D+01 -0.122638D+01 -0.159819D+00  0.541554D+00
                46            47            48            49            50 
      1  -0.178355D+01 -0.280835D+01 -0.564012D+01 -0.331921D+01  0.906414D+01
      2   0.648502D+00 -0.171119D+01  0.496986D+01  0.961488D+00  0.159212D+00
      3   0.153710D+01 -0.860745D+01  0.262076D+01  0.264520D+01  0.439978D+01
                51            52            53            54            55 
      1  -0.439188D+01 -0.663672D+01  0.512478D+01 -0.181628D+01  0.182982D+00
      2   0.788089D+00 -0.223863D+01  0.114775D+01  0.439684D+00  0.194968D+01
      3   0.178115D+01  0.975669D+00  0.281559D+01  0.554900D+01  0.174790D+01
                56            57            58            59            60 
      1   0.297906D-01  0.139368D+01  0.435911D+00 -0.225591D+01 -0.116351D+02
      2  -0.812722D+00  0.315589D+01  0.311703D+01 -0.500887D+00 -0.386790D+01
      3  -0.220290D+01  0.529737D+00  0.132109D+02  0.153080D+02 -0.211179D+00
                61            62            63            64            65 
      1   0.759176D+00  0.464497D+00  0.444930D+00 -0.864936D+00  0.154800D+00
      2   0.905640D+00 -0.465023D+01 -0.786309D+00 -0.275747D+00 -0.569492D-01
      3   0.451356D+00  0.658213D-01  0.398786D+01  0.764762D-01 -0.616291D+00
                66            67            68            69            70 
      1  -0.290354D+00 -0.118016D+00  0.168276D+01 -0.397532D+00 -0.293637D+00
      2  -0.553331D+00  0.618489D+00 -0.344508D+00 -0.164885D+00 -0.357807D+01
      3   0.937240D+00  0.121999D+01  0.137056D+00  0.250119D+00  0.774198D+00
                71            72            73            74            75 
      1   0.310392D+01 -0.243224D+01 -0.669567D-01 -0.151165D+00 -0.345816D-01
      2  -0.525692D+00 -0.227423D+01 -0.238003D+01  0.150307D+00 -0.438435D+00
      3  -0.591277D-01  0.707052D+00 -0.120470D+01 -0.510820D+00 -0.440109D+00
                76            77            78            79            80 
      1  -0.852780D+00 -0.540689D+01 -0.807729D+00  0.237485D+00  0.292729D+01
      2   0.157913D+01 -0.347671D+01  0.482212D+01 -0.180191D+01  0.331245D+01
      3   0.147361D+01 -0.960824D+01  0.473140D+01 -0.656005D+00  0.433691D+01
                81            82            83            84            85 
      1  -0.114400D+00  0.212063D+01 -0.193267D+01 -0.134029D+00 -0.149899D+01
      2  -0.454770D+01  0.220025D+01 -0.328156D+00  0.348085D+01 -0.201497D+01
      3  -0.413264D+01  0.414072D+01 -0.547045D+01 -0.196856D+01 -0.227338D+01
                86            87            88            89            90 
      1   0.224025D+01  0.219624D+00 -0.745107D+00  0.238167D+01  0.302520D+00
      2  -0.682330D+00 -0.218801D+01  0.462014D+00 -0.519758D+00 -0.122770D+01
      3   0.464289D+01  0.267556D+01 -0.114166D+01  0.258289D+01  0.132150D+01
                91            92            93            94            95 
      1  -0.162043D+01  0.262750D+01 -0.121187D+01  0.279425D+01 -0.461861D+01
      2  -0.171144D+01  0.145504D+01 -0.768714D+00  0.162595D+01 -0.289467D+01
      3  -0.311773D+01  0.649642D+01  0.514389D+00  0.101276D+02 -0.176321D+02
                96            97            98            99           100 
      1  -0.518612D+00 -0.953964D+00  0.131562D+01  0.548457D+00  0.350683D+01
      2   0.258492D+01 -0.163075D+01  0.166630D+01 -0.168807D+00 -0.133773D+01
      3   0.292184D+00 -0.866988D-01 -0.398247D+00  0.113794D+00 -0.273867D+01
               101           102           103           104           105 
      1   0.195868D+00  0.532119D+01  0.748864D+00  0.175402D+01 -0.186479D+00
      2   0.134475D+00  0.389908D-01 -0.529051D+00 -0.871382D+00 -0.385298D+00
      3  -0.183694D+00 -0.320261D+01  0.418233D+00 -0.155634D+01  0.730411D-01
               106           107           108           109           110 
      1   0.503517D+01  0.670504D-01  0.912176D+01 -0.503260D+00  0.185534D+01
      2  -0.269097D+01 -0.510816D+00  0.226254D+00  0.427746D+00  0.381048D-01
      3  -0.632546D+01 -0.379467D+00 -0.422889D+01 -0.210398D+01  0.223295D+01
               111           112           113           114           115 
      1   0.215836D+01  0.284117D+01 -0.428925D+01 -0.493308D+01  0.221632D+01
      2   0.399418D+00 -0.406333D+00  0.104577D+00 -0.574839D+00 -0.102152D+01
      3   0.588662D+00  0.674917D+01 -0.432714D+01 -0.213769D+01  0.333978D+01
               116           117           118           119           120 
      1  -0.352750D+01 -0.386412D+01  0.138138D+01 -0.230961D+01  0.813544D-01
      2   0.108841D+00 -0.427049D+00  0.396706D+01 -0.306830D+01 -0.308996D+01
      3  -0.212007D+01 -0.197414D+01 -0.546821D+01  0.389656D+01  0.181415D+01
               121           122           123           124           125 
      1  -0.157439D+01  0.311421D+01  0.113223D+00 -0.230677D+00  0.197400D+01
      2  -0.309734D+01  0.538799D+01  0.465951D+01 -0.236823D+01  0.276457D+01
      3   0.574216D+01 -0.713714D+01 -0.418781D+01  0.864014D+00 -0.301504D+01
               126 
      1  -0.298168D-01
      2   0.408821D+01
      3  -0.266391D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.719432D+01  0.119986D+02  0.698014D+01  0.142806D+02  0.776027D+00
      2   0.248822D+01 -0.871425D+01 -0.224150D+01 -0.993957D+01 -0.344300D+00
      3   0.470610D+01 -0.328433D+01 -0.473865D+01 -0.434106D+01 -0.431727D+00
      4   0.137220D+02 -0.245850D+01 -0.681787D+01 -0.464657D+01 -0.204715D+01
      5   0.532181D+01 -0.981007D+01 -0.754241D+01 -0.121979D+02  0.112777D+02
      6  -0.403468D+01 -0.201141D+00  0.775976D+00  0.315007D+01  0.775941D+01
                 6             7             8             9            10 
      1  -0.104431D+02  0.290759D+01 -0.884856D+01 -0.539636D+01 -0.384872D+01
      2   0.751815D+01 -0.330934D+01  0.185097D+01  0.326177D+01  0.743609D+01
      3   0.292496D+01  0.401745D+00  0.699759D+01  0.213459D+01 -0.358737D+01
      4   0.935049D+01 -0.988558D+01  0.569808D+01 -0.557360D+01 -0.246942D+01
      5  -0.410460D+01 -0.167494D+02 -0.620027D+01 -0.252222D+01  0.236169D+00
      6  -0.971260D+01 -0.188767D+01 -0.120156D+02  0.324075D+01  0.423793D+00
                11            12            13            14            15 
      1  -0.126612D+01  0.391288D+01 -0.533641D+01  0.445961D+01  0.148225D+01
      2   0.172076D+01  0.240858D+01  0.328032D+01 -0.755592D+01  0.285647D+01
      3  -0.454635D+00 -0.632145D+01  0.205609D+01  0.309631D+01 -0.433872D+01
      4   0.482453D+01  0.483919D+00 -0.494263D+01 -0.334584D+01 -0.137266D+00
      5   0.280335D+01  0.236302D+01  0.590151D+01 -0.115198D+01 -0.147632D+01
      6  -0.183537D+01 -0.244381D+01 -0.438454D+00  0.152643D+01 -0.322786D+01
                16            17            18            19            20 
      1  -0.825132D+00 -0.326680D+00  0.132704D+02 -0.698641D+01 -0.713941D+01
      2   0.251726D+01  0.113203D+02  0.959526D+01  0.204708D+01  0.645018D+01
      3  -0.169213D+01 -0.109936D+02 -0.228657D+02  0.493933D+01  0.689226D+00
      4   0.428712D+01 -0.192813D+01 -0.731780D+00 -0.478982D+01 -0.249559D+01
      5   0.220142D+00  0.129064D+01 -0.112660D+01  0.464793D+01  0.251895D+01
      6  -0.763305D+00 -0.277441D+01 -0.951439D+01  0.608546D+00 -0.118478D+00
                21            22            23            24            25 
      1  -0.101863D+01 -0.204006D+01  0.139087D+02 -0.136356D+01  0.639966D+01
      2  -0.706276D+01  0.500346D+01 -0.259720D+02 -0.287262D+01 -0.636154D+01
      3   0.808139D+01 -0.296340D+01  0.120634D+02  0.423618D+01 -0.381171D-01
      4   0.199420D+01 -0.157215D+02  0.191369D+02 -0.232365D+01  0.488803D+01
      5  -0.377177D+01  0.283898D+01 -0.515183D+01  0.115253D+01  0.166570D+01
      6  -0.122512D+01 -0.210366D+01  0.338303D+01 -0.121735D+02  0.181526D+01
                26            27            28            29            30 
      1   0.276657D+01 -0.280723D+01  0.422626D+02  0.501799D+01 -0.474781D+01
      2  -0.870980D+00 -0.376541D+01 -0.269091D+02 -0.126416D+01  0.741796D+01
      3  -0.189559D+01  0.657264D+01 -0.153535D+02 -0.375383D+01 -0.267015D+01
      4   0.205258D+01  0.197553D+01  0.112976D+02  0.113484D+02 -0.204871D+01
      5   0.967601D+00  0.740208D+01 -0.905715D+01 -0.125693D+01  0.139960D+02
      6   0.233732D+01  0.293385D+01 -0.413058D+00 -0.943299D+00  0.308749D+01
                31            32            33            34            35 
      1  -0.458263D+01  0.826002D+01  0.151757D+01 -0.501863D+01 -0.134465D+01
      2   0.545884D+01 -0.388164D+01 -0.212676D+00  0.601428D+01  0.772179D+00
      3  -0.876211D+00 -0.437838D+01 -0.130489D+01 -0.995648D+00  0.572471D+00
      4   0.129177D+02 -0.235278D+01 -0.155977D+01 -0.361988D+01 -0.163804D+01
      5   0.139798D+01 -0.195859D+01  0.496432D+00  0.135836D+02  0.353371D+01
      6  -0.167975D+01  0.112960D+01  0.686167D+01  0.496638D+00  0.456758D+01
                36            37            38            39            40 
      1   0.411431D+01  0.198813D+02 -0.442819D+01  0.989896D+00 -0.639275D+01
      2  -0.107119D+02 -0.119452D+02  0.500588D+01 -0.367039D+01  0.613746D+01
      3   0.659758D+01 -0.793612D+01 -0.577685D+00  0.268049D+01  0.255290D+00
      4   0.263020D+01  0.441763D+01  0.947077D+01  0.362526D+01  0.885139D+01
      5  -0.118476D+02  0.106885D+02  0.228256D+01  0.128484D+02  0.272670D+01
      6  -0.161285D+01  0.348484D-01  0.701565D+01  0.557387D+01  0.397741D+01
                41            42            43            44            45 
      1   0.726496D+01  0.453042D+01  0.486978D+01  0.565110D+01  0.182735D+01
      2  -0.198973D+01 -0.350729D+01 -0.436068D+01 -0.195211D+01 -0.142741D+02
      3  -0.527523D+01 -0.102313D+01 -0.509102D+00 -0.369899D+01  0.124468D+02
      4  -0.110835D+01  0.680528D+00  0.763925D+01  0.220665D+01  0.405534D+01
      5   0.178337D+01 -0.181183D+01  0.184838D+02  0.455652D+01  0.174544D+02
      6  -0.433872D+01  0.240272D+01  0.471506D+01  0.699418D+01  0.283360D+01
                46            47            48            49            50 
      1   0.117970D+02 -0.731048D+01 -0.242748D+01 -0.506529D+01 -0.100816D+02
      2  -0.848282D+01  0.127084D+02  0.489974D+01  0.115036D+02  0.132189D+02
      3  -0.331421D+01 -0.539796D+01 -0.247226D+01 -0.643835D+01 -0.313727D+01
      4   0.101707D+01 -0.304095D+01  0.246825D+01  0.259955D+01  0.117818D+02
      5  -0.226333D+01 -0.537490D+00  0.594140D+00 -0.167056D+01  0.220915D+01
      6   0.200210D+01  0.367025D+01  0.982804D+01  0.319375D+01 -0.149179D+02
                51            52            53            54            55 
      1   0.694757D+01 -0.371075D+01  0.871678D+01 -0.190566D+01  0.471078D+01
      2  -0.118175D+02  0.724116D+01 -0.164928D+02 -0.129161D+00  0.185835D+01
      3   0.486991D+01 -0.353041D+01  0.777605D+01  0.203483D+01 -0.656913D+01
      4   0.233420D+01  0.173872D+01  0.386394D+01  0.949506D+01 -0.961301D+01
      5   0.150174D+01  0.223099D+01  0.207371D+01 -0.378589D+01  0.241534D+01
      6   0.496492D+01  0.986147D+01  0.111129D+01  0.203053D+01 -0.125955D+01
                56            57            58            59            60 
      1  -0.446721D+01 -0.199896D-01 -0.573266D+01 -0.288482D+02  0.311423D+01
      2  -0.475982D+00  0.114961D+01 -0.155314D+01  0.518413D+02 -0.939374D+00
      3   0.494319D+01 -0.112962D+01  0.728581D+01 -0.229931D+02 -0.217485D+01
      4   0.157000D+02 -0.187444D+01  0.200797D+02 -0.336313D+02  0.415170D+01
      5  -0.286326D+01  0.544846D+01 -0.181651D+01  0.764548D+01 -0.676222D+01
      6   0.171903D+01 -0.216162D+01  0.313324D+01 -0.526577D+01  0.172854D+02
                61            62            63            64            65 
      1   0.504689D+00  0.933695D+00 -0.626823D+01  0.886523D-01 -0.126673D+01
      2   0.134617D+01 -0.653613D+00  0.385248D+01 -0.389477D+01  0.452772D+00
      3  -0.185086D+01 -0.280083D+00  0.241575D+01  0.380611D+01  0.813961D+00
      4  -0.171242D+01  0.209590D+01 -0.792261D+01  0.669678D+00  0.218944D+01
      5   0.573394D+01 -0.844846D+01  0.279132D+01  0.120336D+01  0.113771D+01
      6  -0.263457D+01  0.145276D+02 -0.297725D+01  0.210494D+01  0.150349D+01
                66            67            68            69            70 
      1  -0.248611D+01 -0.277263D+00 -0.516341D+01 -0.292671D+01 -0.153031D+01
      2  -0.174227D+01 -0.446131D+00  0.112864D+01  0.717506D+00 -0.932976D+00
      3   0.422838D+01  0.723395D+00  0.403477D+01  0.220921D+01  0.246328D+01
      4   0.182947D+01  0.252371D+01  0.238767D+00  0.382422D+00  0.593784D+00
      5   0.692498D+01  0.395474D+00  0.606522D+00  0.407184D+00  0.567680D+01
      6   0.174660D+01  0.127948D+01  0.377851D+01  0.857833D+01  0.103653D+01
                71            72            73            74            75 
      1  -0.481151D+01 -0.204777D+02  0.117030D+01  0.158558D+01 -0.362340D+01
      2  -0.107810D+01 -0.172397D+02  0.148893D-01  0.623383D-01  0.150888D+01
      3   0.588961D+01  0.377174D+02 -0.118519D+01 -0.164792D+01  0.211452D+01
      4   0.708798D+00  0.121137D+01  0.149577D+01  0.419871D+01 -0.148071D+01
      5   0.346232D-01  0.162372D+01 -0.304940D+01 -0.120838D+01  0.277899D+01
      6   0.795504D+01  0.137827D+02 -0.224428D+01 -0.455087D+00 -0.173570D-01
                76            77            78            79            80 
      1   0.284318D+01 -0.677052D+01  0.599198D+01 -0.257028D+01  0.506379D+01
      2  -0.972964D+00  0.922760D+01 -0.278236D+01  0.219727D+01 -0.108981D+01
      3  -0.187022D+01 -0.245708D+01 -0.320962D+01  0.373002D+00 -0.397398D+01
      4   0.750315D+01  0.158781D+02 -0.824434D+01 -0.248846D+01 -0.667949D+01
      5  -0.392069D+01 -0.970523D+01  0.104781D+02  0.568089D+01  0.808130D+01
      6  -0.278841D+01 -0.154263D+02  0.128908D+02  0.171482D+01  0.115609D+02
                81            82            83            84            85 
      1  -0.629362D+01  0.306624D+02 -0.854927D+01 -0.849582D+01 -0.134760D+02
      2  -0.177352D+01 -0.182409D+02  0.446652D+01  0.719422D+01  0.757013D+01
      3   0.806714D+01 -0.124215D+02  0.408275D+01  0.130160D+01  0.590587D+01
      4   0.654540D+01 -0.106568D+02  0.907196D+01  0.426726D+01  0.113365D+02
      5  -0.103288D+02 -0.164628D+02  0.585473D+01  0.127705D+02  0.900147D+01
      6  -0.119913D+02  0.288993D+01 -0.263872D+01 -0.116293D+01 -0.342465D+01
                86            87            88            89            90 
      1   0.557178D+01  0.372212D+01 -0.696290D+01  0.165473D+01  0.490480D+01
      2  -0.142439D+01 -0.381908D+01  0.696828D+01 -0.199441D+01 -0.680068D+01
      3  -0.414740D+01  0.969601D-01 -0.538173D-02  0.339681D+00  0.189588D+01
      4  -0.109299D+02 -0.601724D+01  0.360098D+01 -0.421580D+01 -0.398225D+01
      5  -0.718088D+01 -0.750558D+01  0.132715D+02 -0.460117D+01 -0.100481D+02
      6   0.306043D+01  0.404286D+01 -0.191700D+01  0.420472D+01  0.253834D+01
                91            92            93            94            95 
      1  -0.593768D+01  0.262200D+01  0.692474D+00  0.133472D+02 -0.470307D+01
      2   0.672019D+01  0.176025D+00 -0.143553D+01 -0.861358D+01  0.742220D+01
      3  -0.782505D+00 -0.279803D+01  0.743053D+00 -0.473360D+01 -0.271913D+01
      4   0.520258D+01  0.197833D+01 -0.288001D+00  0.578719D+01  0.142912D+02
      5   0.160545D+01 -0.104382D+01 -0.972411D+00 -0.371073D+01 -0.109163D+01
      6  -0.488813D+00 -0.430770D+00  0.230494D+01 -0.120376D+01 -0.351550D+01
                96            97            98            99           100 
      1  -0.134702D+01  0.119710D+01  0.752521D+00 -0.977924D+00  0.118671D+01
      2   0.126773D+01 -0.753426D+00 -0.362755D+00 -0.189038D+00 -0.638866D+00
      3   0.792862D-01 -0.443674D+00 -0.389766D+00  0.116696D+01 -0.547841D+00
      4  -0.306175D+01 -0.871416D+00 -0.179599D+01  0.263603D+01 -0.432625D+01
      5   0.479226D+01  0.231530D+01  0.217679D+01 -0.145549D+01  0.423765D+01
      6   0.139913D+01  0.149076D+01  0.262165D+01 -0.196592D+01 -0.471836D+01
               101           102           103           104           105 
      1   0.222209D+01  0.360734D+00  0.497826D+00 -0.547583D+00  0.989091D+00
      2  -0.395952D+01 -0.169827D+01 -0.169868D+01  0.148130D+01 -0.191245D+01
      3   0.173743D+01  0.133753D+01  0.120085D+01 -0.933713D+00  0.923355D+00
      4   0.546329D+01 -0.504001D+01  0.339143D+01 -0.132589D+01  0.154522D+01
      5  -0.125704D+01  0.499339D+01 -0.382232D+00  0.172158D+01 -0.847544D+00
      6   0.259879D+01 -0.830322D+01  0.158995D+01 -0.131767D+01  0.225270D+01
               106           107           108           109           110 
      1   0.869775D+00  0.374289D+01 -0.345544D+01 -0.117670D+01  0.519326D+01
      2  -0.286475D+01 -0.531633D+01 -0.404032D+01  0.515625D+01 -0.123231D+02
      3   0.199498D+01  0.157345D+01  0.749577D+01 -0.397955D+01  0.712982D+01
      4  -0.841267D+01  0.406360D+01 -0.740320D+01 -0.520691D+01  0.103857D+02
      5   0.488343D+01 -0.243458D+01  0.751298D+01 -0.149101D+01  0.174731D+01
      6  -0.719465D+01  0.485432D+01 -0.150796D+02  0.275154D+01 -0.502142D+01
               111           112           113           114           115 
      1   0.107755D+01  0.427417D+01 -0.163535D+02 -0.475526D+01  0.200755D+01
      2  -0.249209D+01 -0.105736D+02  0.321295D+02  0.882581D+01 -0.410250D+01
      3   0.141454D+01  0.629944D+01 -0.157759D+02 -0.407055D+01  0.209495D+01
      4   0.228861D+01  0.108265D+02 -0.145143D+02 -0.461662D+01  0.433992D+01
      5   0.269816D+01  0.690083D+00 -0.241095D+01 -0.158607D+01  0.247481D+01
      6  -0.366735D+01 -0.515013D+01  0.131348D+02  0.880541D+01 -0.461246D+01
               116           117           118           119           120 
      1  -0.868640D+01 -0.564050D+01 -0.485370D+01  0.602852D+01  0.476656D+01
      2   0.142651D+02  0.651205D+01  0.350944D+01 -0.442623D+01 -0.221669D+01
      3  -0.557868D+01 -0.871547D+00  0.134425D+01 -0.160229D+01 -0.254987D+01
      4  -0.722937D+01 -0.432824D+01 -0.579652D+00 -0.174717D+01 -0.532439D+00
      5  -0.236602D+01 -0.230824D+01 -0.106178D+01  0.507196D+00 -0.136567D+01
      6   0.126482D+02  0.901531D+01  0.234305D+01 -0.486293D+01 -0.433552D+01
               121           122           123           124           125 
      1   0.753978D+01 -0.110324D+02 -0.670943D+01  0.388134D+01 -0.451415D+01
      2  -0.491557D+01  0.112372D+02  0.517739D+01 -0.157972D+01  0.235260D+01
      3  -0.262421D+01 -0.204792D+00  0.153204D+01 -0.230163D+01  0.216155D+01
      4   0.815582D+00  0.810926D+01  0.448684D+01 -0.973886D-01  0.279727D+01
      5   0.746434D+00  0.340730D+01  0.526596D+01  0.185020D+01  0.151607D+01
      6  -0.256433D+01  0.988443D+01  0.739382D+01 -0.194042D+01  0.629620D+01
               126 
      1  -0.540336D+01
      2   0.119307D+01
      3   0.421029D+01
      4   0.139274D+01
      5   0.360914D+01
      6   0.564091D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163291D+01      0.415044D+01      0.138444D+02
   x         -0.837095D+00     -0.212768D+01     -0.709719D+01
   y          0.130233D+01      0.331019D+01      0.110416D+02
   z          0.519226D+00      0.131974D+01      0.440218D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.543539D+02      0.805441D+01      0.896174D+01
   aniso      0.123091D+02      0.182403D+01      0.202950D+01
   xx         0.558131D+02      0.827066D+01      0.920234D+01
   yx        -0.712495D-01     -0.105581D-01     -0.117474D-01
   yy         0.598545D+02      0.886952D+01      0.986867D+01
   zx        -0.302624D+01     -0.448443D+00     -0.498960D+00
   zy        -0.963500D+00     -0.142776D+00     -0.158860D+00
   zz         0.473939D+02      0.702306D+01      0.781420D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.593248D+02      0.879103D+01      0.978134D+01
   aniso      0.130230D+02      0.192982D+01      0.214721D+01
   xx         0.613217D+02      0.908694D+01      0.101106D+02
   yx         0.180451D+00      0.267400D-01      0.297523D-01
   yy         0.648889D+02      0.961555D+01      0.106987D+02
   zx        -0.302924D+01     -0.448888D+00     -0.499455D+00
   zy        -0.112521D+01     -0.166739D+00     -0.185522D+00
   zz         0.517638D+02      0.767060D+01      0.853469D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.93312426         -1.92897440          1.28743446
     6          0.62221096         -0.59053280          1.25684763
     6          1.38917040          0.02062008         -1.48377381
     8          2.71059711          2.15380868         -1.71961686
     8         -3.86836082         -0.31348698          0.35805374
     7          0.71963309          1.73409401          2.75937971
     8          0.85813757         -1.31393047         -3.24607072
     1          2.06699205         -1.88927780          1.96737703
     1         -1.82015914         -3.67583559          0.19630936
     1         -2.44094419         -2.39242361          3.23112090
     1          2.71121714          2.91437272         -0.02064803
     1         -0.98202627          2.61842280          2.67678729
     1          1.12060494          1.38166812          4.59413738
     1         -3.76565706         -0.31338124         -1.46272959

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163291D+01      0.415044D+01      0.138444D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163291D+01      0.415044D+01      0.138444D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.543539D+02      0.805441D+01      0.896174D+01
   aniso      0.123091D+02      0.182403D+01      0.202950D+01
   xx         0.511636D+02      0.758166D+01      0.843573D+01
   yx         0.548842D+01      0.813300D+00      0.904918D+00
   yy         0.538093D+02      0.797371D+01      0.887195D+01
   zx        -0.870754D+00     -0.129032D+00     -0.143568D+00
   zy         0.272254D+01      0.403438D+00      0.448886D+00
   zz         0.580887D+02      0.860786D+01      0.957753D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.593248D+02      0.879103D+01      0.978134D+01
   aniso      0.130230D+02      0.192982D+01      0.214721D+01
   xx         0.563984D+02      0.835738D+01      0.929884D+01
   yx         0.600494D+01      0.889841D+00      0.990081D+00
   yy         0.586823D+02      0.869582D+01      0.967541D+01
   zx        -0.113502D+01     -0.168193D+00     -0.187140D+00
   zy         0.288595D+01      0.427654D+00      0.475829D+00
   zz         0.628937D+02      0.931989D+01      0.103698D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-26\Freq\RwB97XD\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
 uess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-1.484901,-
 0.302102,0.506335\C,-0.17429,0.470913,0.629509\C,0.994437,-0.392531,0.
 11848\O,1.968436,0.308886,-0.463036\O,-1.787467,-0.56974,-0.856846\N,-
 0.15901,1.757486,-0.072339\O,1.028452,-1.588853,0.241131\H,0.031855,0.
 652391,1.689135\H,-1.427808,-1.222323,1.090638\H,-2.303403,0.307977,0.
 891228\H,1.63266,1.234261,-0.497983\H,-0.71236,1.685398,-0.921087\H,-0
 .544717,2.501175,0.493903\H,-1.25,-1.321307,-1.135405\\Version=ES64L-G
 16RevA.03\State=1-A\HF=-399.1567266\RMSD=9.418e-09\RMSF=1.198e-05\Zero
 Point=0.1138014\Thermal=0.1211685\Dipole=-0.8370952,1.3023304,0.519226
 1\DipoleDeriv=0.3793319,0.0280132,0.099948,0.1033598,0.2607907,0.15472
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 THE UNDERLYING PHYSICAL LAWS NECESSARY FOR THE 
 MATHEMATICAL THEORY OF A LARGE PART OF PHYSICS AND THE
 WHOLE OF CHEMISTRY ARE THUS COMPLETELY KNOWN, AND THE
 DIFFICULTY IS ONLY THAT THE EXACT APPLICATION OF THESE
 LAWS LEADS TO EQUATIONS MUCH TOO COMPLICATED 
 TO BE SOLUBLE.

                                        -- P. A. M. DIRAC, 1929
 Job cpu time:       0 days  1 hours  7 minutes 14.6 seconds.
 Elapsed time:       0 days  0 hours  8 minutes 26.3 seconds.
 File lengths (MBytes):  RWF=    210 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:12:03 2021.
